N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C205H219F11N48O15 — CID 159659707

IUPACN-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(N3CCC(OCC[18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC([18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(Nc3cc(OCCOCCOCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])n3)nc21
InChIInChI=1S/C24H28FN5O4.2C22H24FN5O3.C21H21FN4O2.C20H20FN5O2.C18H21FN4O.3C16H17FN4.2C15H15FN4/c1-30-20-7-9-26-17-19(20)18-5-6-22(29-24(18)30)27-21-3-2-4-23(28-21)34-16-15-33-14-13-32-12-11-31-10-8-25;1-28-19-5-7-24-15-18(19)17-2-3-20(27-22(17)28)26-21-14-16(4-8-25-21)31-13-12-30-11-10-29-9-6-23;1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23;1-26-19-7-9-23-14-18(19)17-5-6-20(25-21(17)26)24-15-3-2-4-16(13-15)28-12-11-27-10-8-22;1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21;1-22-16-4-8-20-12-15(16)14-2-3-17(21-18(14)22)23-9-5-13(6-10-23)24-11-7-19;1-20-14-4-7-18-10-13(14)12-2-3-15(19-16(12)20)21-8-5-11(17)6-9-21;2*1-20-14-6-7-18-9-13(14)12-4-5-15(19-16(12)20)21-8-2-3-11(17)10-21;2*1-19-13-4-6-17-8-12(13)11-2-3-14(18-15(11)19)20-7-5-10(16)9-20/h2-7,9,17H,8,10-16H2,1H3,(H,27,28,29);2-5,7-8,14-15H,6,9-13H2,1H3,(H,25,26,27);2-7,9,15H,8,10-14H2,1H3,(H,25,26,27);2-7,9,13-14H,8,10-12H2,1H3,(H,24,25);2-7,9,13H,8,10-12H2,1H3,(H,23,24,25);2-4,8,12-13H,5-7,9-11H2,1H3;2-4,7,10-11H,5-6,8-9H2,1H3;2*4-7,9,11H,2-3,8,10H2,1H3;2*2-4,6,8,10H,5,7,9H2,1H3/t;;;;;;;2*11-;2*10-/m.......1010/s1/i25-1;2*23-1;22-1;21-1;19-1;3*17-1;2*16-1
InChIKeyMSQHZBYMCUTBTI-RETUDSMYSA-N
MW3793.34 g/mol
LogP36.39
Rot. Bonds61

About N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159659707) has the molecular formula C205H219F11N48O15 and a molecular weight of 3793.34 g/mol. Its IUPAC name is N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound NameN-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID159659707
Molecular FormulaC205H219F11N48O15
Molecular Weight3793.34 g/mol
Exact Mass3790.80
IUPAC NameN-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(N3CCC(OCC[18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC([18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(Nc3cc(OCCOCCOCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])n3)nc21
InChIInChI=1S/C24H28FN5O4.2C22H24FN5O3.C21H21FN4O2.C20H20FN5O2.C18H21FN4O.3C16H17FN4.2C15H15FN4/c1-30-20-7-9-26-17-19(20)18-5-6-22(29-24(18)30)27-21-3-2-4-23(28-21)34-16-15-33-14-13-32-12-11-31-10-8-25;1-28-19-5-7-24-15-18(19)17-2-3-20(27-22(17)28)26-21-14-16(4-8-25-21)31-13-12-30-11-10-29-9-6-23;1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23;1-26-19-7-9-23-14-18(19)17-5-6-20(25-21(17)26)24-15-3-2-4-16(13-15)28-12-11-27-10-8-22;1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21;1-22-16-4-8-20-12-15(16)14-2-3-17(21-18(14)22)23-9-5-13(6-10-23)24-11-7-19;1-20-14-4-7-18-10-13(14)12-2-3-15(19-16(12)20)21-8-5-11(17)6-9-21;2*1-20-14-6-7-18-9-13(14)12-4-5-15(19-16(12)20)21-8-2-3-11(17)10-21;2*1-19-13-4-6-17-8-12(13)11-2-3-14(18-15(11)19)20-7-5-10(16)9-20/h2-7,9,17H,8,10-16H2,1H3,(H,27,28,29);2-5,7-8,14-15H,6,9-13H2,1H3,(H,25,26,27);2-7,9,15H,8,10-14H2,1H3,(H,25,26,27);2-7,9,13-14H,8,10-12H2,1H3,(H,24,25);2-7,9,13H,8,10-12H2,1H3,(H,23,24,25);2-4,8,12-13H,5-7,9-11H2,1H3;2-4,7,10-11H,5-6,8-9H2,1H3;2*4-7,9,11H,2-3,8,10H2,1H3;2*2-4,6,8,10H,5,7,9H2,1H3/t;;;;;;;2*11-;2*10-/m.......1010/s1/i25-1;2*23-1;22-1;21-1;19-1;3*17-1;2*16-1
InChIKeyMSQHZBYMCUTBTI-RETUDSMYSA-N
XLogP36.39
TPSA607.41 Ų
H-Bond Donors5
H-Bond Acceptors63
Rotatable Bonds61
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003793.34
LogP ≤ 536.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159659707) is N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cn1c2ccncc2c2ccc(N3CCC(OCC[18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC([18F])CC3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CCC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(N3CC[C@H]([18F])C3)nc21.Cn1c2ccncc2c2ccc(Nc3cc(OCCOCCOCC[18F])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCCOCC[18F])n3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cccc(OCCOCC[18F])n3)nc21.
What is the InChIKey of N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is MSQHZBYMCUTBTI-RETUDSMYSA-N. The full InChI is InChI=1S/C24H28FN5O4.2C22H24FN5O3.C21H21FN4O2.C20H20FN5O2.C18H21FN4O.3C16H17FN4.2C15H15FN4/c1-30-20-7-9-26-17-19(20)18-5-6-22(29-24(18)30)27-21-3-2-4-23(28-21)34-16-15-33-14-13-32-12-11-31-10-8-25;1-28-19-5-7-24-15-18(19)17-2-3-20(27-22(17)28)26-21-14-16(4-8-25-21)31-13-12-30-11-10-29-9-6-23;1-28-18-7-9-24-15-17(18)16-5-6-20(27-22(16)28)25-19-3-2-4-21(26-19)31-14-13-30-12-11-29-10-8-23;1-26-19-7-9-23-14-18(19)17-5-6-20(25-21(17)26)24-15-3-2-4-16(13-15)28-12-11-27-10-8-22;1-26-16-7-9-22-13-15(16)14-5-6-18(25-20(14)26)23-17-3-2-4-19(24-17)28-12-11-27-10-8-21;1-22-16-4-8-20-12-15(16)14-2-3-17(21-18(14)22)23-9-5-13(6-10-23)24-11-7-19;1-20-14-4-7-18-10-13(14)12-2-3-15(19-16(12)20)21-8-5-11(17)6-9-21;2*1-20-14-6-7-18-9-13(14)12-4-5-15(19-16(12)20)21-8-2-3-11(17)10-21;2*1-19-13-4-6-17-8-12(13)11-2-3-14(18-15(11)19)20-7-5-10(16)9-20/h2-7,9,17H,8,10-16H2,1H3,(H,27,28,29);2-5,7-8,14-15H,6,9-13H2,1H3,(H,25,26,27);2-7,9,15H,8,10-14H2,1H3,(H,25,26,27);2-7,9,13-14H,8,10-12H2,1H3,(H,24,25);2-7,9,13H,8,10-12H2,1H3,(H,23,24,25);2-4,8,12-13H,5-7,9-11H2,1H3;2-4,7,10-11H,5-6,8-9H2,1H3;2*4-7,9,11H,2-3,8,10H2,1H3;2*2-4,6,8,10H,5,7,9H2,1H3/t;;;;;;;2*11-;2*10-/m.......1010/s1/i25-1;2*23-1;22-1;21-1;19-1;3*17-1;2*16-1.
What are the key properties of N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3793.34 g/mol, XLogP of 36.39, 61 rotatable bonds, 5 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]-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-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-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-[3-[2-(2-(18F)fluoroethoxy)ethoxy]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-[6-[2-(2-(18F)fluoroethoxy)ethoxy]-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-(2-(18F)fluoroethoxy)piperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropiperidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-(4-(18F)fluoropiperidin-1-yl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3R)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-[(3S)-3-(18F)fluoropyrrolidin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159659707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).