8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C137H118F21N41O5 — CID 164960847

IUPAC8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3nc(C4CC4)[nH]c23)ccn1.C[C@@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3COCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccnc3)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3COc4ccccc43)c12.c1cncc(CNc2ncnc3nc(C4CC4)[nH]c23)c1
InChIInChI=1S/C17H15F3N4.3C16H13F3N4O.C15H11F3N4O.C15H13F3N4.C15H16N6O.C14H14N6.C13H10F3N5/c18-17(19,20)12-8-21-15-14(12)16(23-9-22-15)24-13-7-3-5-10-4-1-2-6-11(10)13;17-16(18,19)11-5-20-14-13(11)15(22-8-21-14)23-12-7-24-6-9-3-1-2-4-10(9)12;2*17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-22-11-6-9(4-5-16-11)7-17-14-12-15(19-8-18-14)21-13(20-12)10-2-3-10;1-2-9(6-15-5-1)7-16-13-11-14(18-8-17-13)20-12(19-11)10-3-4-10;14-13(15,16)9-6-19-12-10(9)11(20-7-21-12)18-5-8-2-1-3-17-4-8/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);1-5,8,12H,6-7H2,(H2,20,21,22,23);2*1-4,7-8,11H,5-6H2,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);4-6,8,10H,2-3,7H2,1H3,(H2,17,18,19,20,21);1-2,5-6,8,10H,3-4,7H2,(H2,16,17,18,19,20);1-4,6-7H,5H2,(H2,18,19,20,21)/t;;11-;;10-;9-;;;/m..1.01.../s1
InChIKeyBUXDHKLLBUGTOE-AYNXSUIESA-N
MW2817.69 g/mol
LogP31.09
Rot. Bonds25

About 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164960847) has the molecular formula C137H118F21N41O5 and a molecular weight of 2817.69 g/mol. Its IUPAC name is 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164960847
Molecular FormulaC137H118F21N41O5
Molecular Weight2817.69 g/mol
Exact Mass2815.99
IUPAC Name8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3nc(C4CC4)[nH]c23)ccn1.C[C@@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3COCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccnc3)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3COc4ccccc43)c12.c1cncc(CNc2ncnc3nc(C4CC4)[nH]c23)c1
InChIInChI=1S/C17H15F3N4.3C16H13F3N4O.C15H11F3N4O.C15H13F3N4.C15H16N6O.C14H14N6.C13H10F3N5/c18-17(19,20)12-8-21-15-14(12)16(23-9-22-15)24-13-7-3-5-10-4-1-2-6-11(10)13;17-16(18,19)11-5-20-14-13(11)15(22-8-21-14)23-12-7-24-6-9-3-1-2-4-10(9)12;2*17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-22-11-6-9(4-5-16-11)7-17-14-12-15(19-8-18-14)21-13(20-12)10-2-3-10;1-2-9(6-15-5-1)7-16-13-11-14(18-8-17-13)20-12(19-11)10-3-4-10;14-13(15,16)9-6-19-12-10(9)11(20-7-21-12)18-5-8-2-1-3-17-4-8/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);1-5,8,12H,6-7H2,(H2,20,21,22,23);2*1-4,7-8,11H,5-6H2,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);4-6,8,10H,2-3,7H2,1H3,(H2,17,18,19,20,21);1-2,5-6,8,10H,3-4,7H2,(H2,16,17,18,19,20);1-4,6-7H,5H2,(H2,18,19,20,21)/t;;11-;;10-;9-;;;/m..1.01.../s1
InChIKeyBUXDHKLLBUGTOE-AYNXSUIESA-N
XLogP31.09
TPSA593.00 Ų
H-Bond Donors18
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002817.69
LogP ≤ 531.09
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1037

Analyze 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazol-4-yl]piperidin-4-amine;5-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-[1,3]dioxolo[4,5-c]pyridine;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 157301116
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
CID 157764654
CID 157764654
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
1-cyclopropyl-2-ethylimidazole;bis((8S)-3,8-dimethyl-5,6,7,8-tetrahydroquinoline);2-ethyl-1H-imidazole;2-ethyl-1-methylimidazole;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;bis((8S)-3-methoxy-8-methyl-5,6,7,8-tetrahydroquinoline);1-methyl-2-propan-2-ylimidazole;(8S)-8-methylspiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclopropane];(9R)-9-methylspiro[8,9-dihydro-6H-imidazo[1,2-d][1,4]oxazepine-5,1'-cyclopropane];bis((9S)-9-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine);bis((8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine);bis((9R)-9-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepine);(8S)-8-methyl-3-(trifluoromethoxy)-5,6,7,8-tetrahydroquinoline
CID 158317941
12-[3-Ethoxy-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-methyl-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158357061
N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 158456098
12-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-[(3S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-[1-(2-methoxyethyl)piperidin-4-yl]oxy-12-pyridin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-12-pyridin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-propan-2-ylpiperidin-4-yl)oxy-12-pyridin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-pyridin-4-yl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 158486107

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164960847) is 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cc(CNc2ncnc3nc(C4CC4)[nH]c23)ccn1.C[C@@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NC3COCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccnc3)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@@H]3CCOc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(N[C@H]3COc4ccccc43)c12.c1cncc(CNc2ncnc3nc(C4CC4)[nH]c23)c1.
What is the InChIKey of 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BUXDHKLLBUGTOE-AYNXSUIESA-N. The full InChI is InChI=1S/C17H15F3N4.3C16H13F3N4O.C15H11F3N4O.C15H13F3N4.C15H16N6O.C14H14N6.C13H10F3N5/c18-17(19,20)12-8-21-15-14(12)16(23-9-22-15)24-13-7-3-5-10-4-1-2-6-11(10)13;17-16(18,19)11-5-20-14-13(11)15(22-8-21-14)23-12-7-24-6-9-3-1-2-4-10(9)12;2*17-16(18,19)10-7-20-14-13(10)15(22-8-21-14)23-11-5-6-24-12-4-2-1-3-9(11)12;16-15(17,18)9-5-19-13-12(9)14(21-7-20-13)22-10-6-23-11-4-2-1-3-8(10)11;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-22-11-6-9(4-5-16-11)7-17-14-12-15(19-8-18-14)21-13(20-12)10-2-3-10;1-2-9(6-15-5-1)7-16-13-11-14(18-8-17-13)20-12(19-11)10-3-4-10;14-13(15,16)9-6-19-12-10(9)11(20-7-21-12)18-5-8-2-1-3-17-4-8/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);1-5,8,12H,6-7H2,(H2,20,21,22,23);2*1-4,7-8,11H,5-6H2,(H2,20,21,22,23);1-5,7,10H,6H2,(H2,19,20,21,22);2-9H,1H3,(H2,19,20,21,22);4-6,8,10H,2-3,7H2,1H3,(H2,17,18,19,20,21);1-2,5-6,8,10H,3-4,7H2,(H2,16,17,18,19,20);1-4,6-7H,5H2,(H2,18,19,20,21)/t;;11-;;10-;9-;;;/m..1.01.../s1.
What are the key properties of 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2817.69 g/mol, XLogP of 31.09, 25 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-7H-purin-6-amine;8-cyclopropyl-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-2H-chromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(3,4-dihydro-1H-isochromen-4-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164960847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).