11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C284H241F18N75O12 — CID 160996477

IUPAC11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCN1CCc2c(c3ccc(Nc4ccc(F)c([18F])c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc(OCC[18F])c4)nc3n2C)C1=O.Cn1c2c(c3ccc(Nc4cccc(OCC[18F])c4)nc31)C(=O)NCC2.Cn1c2ccncc2c2ccc(Nc3cc(OCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(OCC[18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc([18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3ccnc([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCC[18F])c3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[18F].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[18F]
InChIInChI=1S/C20H21FN4O2.C19H18FN5O.C19H19FN4O2.C19H17FN4O.C18H16F2N4O.C18H14FN5O.4C18H16FN5O.C18H12FN5.C17H12F2N4.4C16H12FN5/c1-24-10-8-16-18(20(24)26)15-6-7-17(23-19(15)25(16)2)22-13-4-3-5-14(12-13)27-11-9-21;1-25-17-5-7-21-12-16(17)15-3-4-18(24-19(15)25)23-13-9-14(11-22-10-13)26-8-2-6-20;1-24-15-7-9-21-19(25)17(15)14-5-6-16(23-18(14)24)22-12-3-2-4-13(11-12)26-10-8-20;1-24-17-7-9-21-12-16(17)15-5-6-18(23-19(15)24)22-13-3-2-4-14(11-13)25-10-8-20;1-23-8-7-14-16(18(23)25)11-4-6-15(22-17(11)24(14)2)21-10-3-5-12(19)13(20)9-10;1-20-13-5-3-10(9-12(13)19)22-15-6-4-11-16-14(7-8-21-18(16)25)24(2)17(11)23-15;1-24-15-6-8-20-11-14(15)13-3-5-17(23-18(13)24)22-16-4-2-12(10-21-16)25-9-7-19;1-24-15-5-7-20-11-14(15)13-2-3-16(23-18(13)24)22-17-10-12(4-8-21-17)25-9-6-19;1-24-16-4-6-20-11-15(16)14-2-3-17(23-18(14)24)22-12-8-13(10-21-9-12)25-7-5-19;1-24-14-7-9-20-11-13(14)12-5-6-16(23-18(12)24)21-15-3-2-4-17(22-15)25-10-8-19;1-20-15-5-3-11(9-14(15)19)22-17-6-4-12-13-10-21-8-7-16(13)24(2)18(12)23-17;1-23-15-6-7-20-9-12(15)11-3-5-16(22-17(11)23)21-10-2-4-13(18)14(19)8-10;1-22-13-6-7-18-9-12(13)11-3-5-15(21-16(11)22)20-14-4-2-10(17)8-19-14;1-22-13-5-6-18-9-12(13)11-2-3-15(21-16(11)22)20-10-4-7-19-14(17)8-10;1-22-13-5-6-18-9-12(13)11-2-3-14(21-16(11)22)20-15-8-10(17)4-7-19-15;1-22-12-7-8-18-9-11(12)10-5-6-15(21-16(10)22)20-14-4-2-3-13(17)19-14/h3-7,12H,8-11H2,1-2H3,(H,22,23);3-5,7,9-12H,2,6,8H2,1H3,(H,23,24);2-6,11H,7-10H2,1H3,(H,21,25)(H,22,23);2-7,9,11-12H,8,10H2,1H3,(H,22,23);3-6,9H,7-8H2,1-2H3,(H,21,22);3-6,9H,7-8H2,2H3,(H,21,25)(H,22,23);2-6,8,10-11H,7,9H2,1H3,(H,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23);2-4,6,8-11H,5,7H2,1H3,(H,22,23);2-7,9,11H,8,10H2,1H3,(H,21,22,23);3-10H,2H3,(H,22,23);2-9H,1H3,(H,21,22);4*2-9H,1H3,(H,19,20,21)/i21-1;4*20-1;7*19-1;4*17-1
InChIKeyTVHUORXCCMLJLR-VZUANPHMSA-N
MW5222.58 g/mol
LogP57.70
Rot. Bonds57

About 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 160996477) has the molecular formula C284H241F18N75O12 and a molecular weight of 5222.58 g/mol. Its IUPAC name is 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound Name11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID160996477
Molecular FormulaC284H241F18N75O12
Molecular Weight5222.58 g/mol
Exact Mass5219.07
IUPAC Name11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCN1CCc2c(c3ccc(Nc4ccc(F)c([18F])c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc(OCC[18F])c4)nc3n2C)C1=O.Cn1c2c(c3ccc(Nc4cccc(OCC[18F])c4)nc31)C(=O)NCC2.Cn1c2ccncc2c2ccc(Nc3cc(OCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(OCC[18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc([18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3ccnc([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCC[18F])c3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[18F].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[18F]
InChIInChI=1S/C20H21FN4O2.C19H18FN5O.C19H19FN4O2.C19H17FN4O.C18H16F2N4O.C18H14FN5O.4C18H16FN5O.C18H12FN5.C17H12F2N4.4C16H12FN5/c1-24-10-8-16-18(20(24)26)15-6-7-17(23-19(15)25(16)2)22-13-4-3-5-14(12-13)27-11-9-21;1-25-17-5-7-21-12-16(17)15-3-4-18(24-19(15)25)23-13-9-14(11-22-10-13)26-8-2-6-20;1-24-15-7-9-21-19(25)17(15)14-5-6-16(23-18(14)24)22-12-3-2-4-13(11-12)26-10-8-20;1-24-17-7-9-21-12-16(17)15-5-6-18(23-19(15)24)22-13-3-2-4-14(11-13)25-10-8-20;1-23-8-7-14-16(18(23)25)11-4-6-15(22-17(11)24(14)2)21-10-3-5-12(19)13(20)9-10;1-20-13-5-3-10(9-12(13)19)22-15-6-4-11-16-14(7-8-21-18(16)25)24(2)17(11)23-15;1-24-15-6-8-20-11-14(15)13-3-5-17(23-18(13)24)22-16-4-2-12(10-21-16)25-9-7-19;1-24-15-5-7-20-11-14(15)13-2-3-16(23-18(13)24)22-17-10-12(4-8-21-17)25-9-6-19;1-24-16-4-6-20-11-15(16)14-2-3-17(23-18(14)24)22-12-8-13(10-21-9-12)25-7-5-19;1-24-14-7-9-20-11-13(14)12-5-6-16(23-18(12)24)21-15-3-2-4-17(22-15)25-10-8-19;1-20-15-5-3-11(9-14(15)19)22-17-6-4-12-13-10-21-8-7-16(13)24(2)18(12)23-17;1-23-15-6-7-20-9-12(15)11-3-5-16(22-17(11)23)21-10-2-4-13(18)14(19)8-10;1-22-13-6-7-18-9-12(13)11-3-5-15(21-16(11)22)20-14-4-2-10(17)8-19-14;1-22-13-5-6-18-9-12(13)11-2-3-15(21-16(11)22)20-10-4-7-19-14(17)8-10;1-22-13-5-6-18-9-12(13)11-2-3-14(21-16(11)22)20-15-8-10(17)4-7-19-15;1-22-12-7-8-18-9-11(12)10-5-6-15(21-16(10)22)20-14-4-2-3-13(17)19-14/h3-7,12H,8-11H2,1-2H3,(H,22,23);3-5,7,9-12H,2,6,8H2,1H3,(H,23,24);2-6,11H,7-10H2,1H3,(H,21,25)(H,22,23);2-7,9,11-12H,8,10H2,1H3,(H,22,23);3-6,9H,7-8H2,1-2H3,(H,21,22);3-6,9H,7-8H2,2H3,(H,21,25)(H,22,23);2-6,8,10-11H,7,9H2,1H3,(H,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23);2-4,6,8-11H,5,7H2,1H3,(H,22,23);2-7,9,11H,8,10H2,1H3,(H,21,22,23);3-10H,2H3,(H,22,23);2-9H,1H3,(H,21,22);4*2-9H,1H3,(H,19,20,21)/i21-1;4*20-1;7*19-1;4*17-1
InChIKeyTVHUORXCCMLJLR-VZUANPHMSA-N
XLogP57.70
TPSA929.67 Ų
H-Bond Donors18
H-Bond Acceptors81
Rotatable Bonds57
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005222.58
LogP ≤ 557.70
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1081

Analyze 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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What is the IUPAC name of 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 160996477) is 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is CN1CCc2c(c3ccc(Nc4ccc(F)c([18F])c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc(OCC[18F])c4)nc3n2C)C1=O.Cn1c2c(c3ccc(Nc4cccc(OCC[18F])c4)nc31)C(=O)NCC2.Cn1c2ccncc2c2ccc(Nc3cc(OCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(OCC[18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([18F])cn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc([18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3ccnc([18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cncc(OCC[18F])c3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[18F].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[18F].
What is the InChIKey of 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is TVHUORXCCMLJLR-VZUANPHMSA-N. The full InChI is InChI=1S/C20H21FN4O2.C19H18FN5O.C19H19FN4O2.C19H17FN4O.C18H16F2N4O.C18H14FN5O.4C18H16FN5O.C18H12FN5.C17H12F2N4.4C16H12FN5/c1-24-10-8-16-18(20(24)26)15-6-7-17(23-19(15)25(16)2)22-13-4-3-5-14(12-13)27-11-9-21;1-25-17-5-7-21-12-16(17)15-3-4-18(24-19(15)25)23-13-9-14(11-22-10-13)26-8-2-6-20;1-24-15-7-9-21-19(25)17(15)14-5-6-16(23-18(14)24)22-12-3-2-4-13(11-12)26-10-8-20;1-24-17-7-9-21-12-16(17)15-5-6-18(23-19(15)24)22-13-3-2-4-14(11-13)25-10-8-20;1-23-8-7-14-16(18(23)25)11-4-6-15(22-17(11)24(14)2)21-10-3-5-12(19)13(20)9-10;1-20-13-5-3-10(9-12(13)19)22-15-6-4-11-16-14(7-8-21-18(16)25)24(2)17(11)23-15;1-24-15-6-8-20-11-14(15)13-3-5-17(23-18(13)24)22-16-4-2-12(10-21-16)25-9-7-19;1-24-15-5-7-20-11-14(15)13-2-3-16(23-18(13)24)22-17-10-12(4-8-21-17)25-9-6-19;1-24-16-4-6-20-11-15(16)14-2-3-17(23-18(14)24)22-12-8-13(10-21-9-12)25-7-5-19;1-24-14-7-9-20-11-13(14)12-5-6-16(23-18(12)24)21-15-3-2-4-17(22-15)25-10-8-19;1-20-15-5-3-11(9-14(15)19)22-17-6-4-12-13-10-21-8-7-16(13)24(2)18(12)23-17;1-23-15-6-7-20-9-12(15)11-3-5-16(22-17(11)23)21-10-2-4-13(18)14(19)8-10;1-22-13-6-7-18-9-12(13)11-3-5-15(21-16(11)22)20-14-4-2-10(17)8-19-14;1-22-13-5-6-18-9-12(13)11-2-3-15(21-16(11)22)20-10-4-7-19-14(17)8-10;1-22-13-5-6-18-9-12(13)11-2-3-14(21-16(11)22)20-15-8-10(17)4-7-19-15;1-22-12-7-8-18-9-11(12)10-5-6-15(21-16(10)22)20-14-4-2-3-13(17)19-14/h3-7,12H,8-11H2,1-2H3,(H,22,23);3-5,7,9-12H,2,6,8H2,1H3,(H,23,24);2-6,11H,7-10H2,1H3,(H,21,25)(H,22,23);2-7,9,11-12H,8,10H2,1H3,(H,22,23);3-6,9H,7-8H2,1-2H3,(H,21,22);3-6,9H,7-8H2,2H3,(H,21,25)(H,22,23);2-6,8,10-11H,7,9H2,1H3,(H,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,21,22,23);2-4,6,8-11H,5,7H2,1H3,(H,22,23);2-7,9,11H,8,10H2,1H3,(H,21,22,23);3-10H,2H3,(H,22,23);2-9H,1H3,(H,21,22);4*2-9H,1H3,(H,19,20,21)/i21-1;4*20-1;7*19-1;4*17-1.
What are the key properties of 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 5222.58 g/mol, XLogP of 57.70, 57 rotatable bonds, 18 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(2-(18F)fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-[3-(2-(18F)fluoroethoxy)anilino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-[3-(2-(18F)fluoroethoxy)phenyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[4-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[6-(2-(18F)fluoroethoxy)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-fluoro-3-(18F)fluoroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-fluoro-3-(18F)fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(3-(18F)fluoro-4-isocyanoanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-(18F)fluoro-4-isocyanophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-[5-(3-(18F)fluoropropoxy)-3-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(2-(18F)fluoro-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(5-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(6-(18F)fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 160996477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).