4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid

C156H160F3N47O14 — CID 165091500

IUPAC4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@@H](C)C(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(NC3CC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC[C@@H]5C(=O)O)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCC5)n4)nn3)nc(N)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H30N8O3.C26H28N8O.C26H30N8.C25H26N8.C24H26N8.C23H20F3N7O2.4CO2/c1-18-5-2-6-19(13-18)22-14-23(32-28(31-22)30-21-10-12-39-17-21)24-16-35(34-33-24)15-20-7-3-9-26(29-20)36-11-4-8-25(36)27(37)38;1-18-5-2-6-19(13-18)22-14-23(30-26(29-22)28-21-9-12-35-17-21)24-16-34(32-31-24)15-20-7-3-8-25(27-20)33-10-4-11-33;1-18-8-6-9-20(14-18)23-15-24(30-26(27)29-23)25-17-34(32-31-25)16-21-10-7-11-22(28-21)19(2)33-12-4-3-5-13-33;1-17-5-2-6-18(13-17)21-14-22(29-25(28-21)27-19-9-10-19)23-16-33(31-30-23)15-20-7-3-8-24(26-20)32-11-4-12-32;1-16-6-3-7-18(12-16)21-13-22(28-24(25)27-21)23-15-32(30-29-23)14-19-8-4-9-20(26-19)17(2)31-10-5-11-31;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;4*2-1-3/h2-3,5-7,9,13-14,16,21,25H,4,8,10-12,15,17H2,1H3,(H,37,38)(H,30,31,32);2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);6-11,14-15,17,19H,3-5,12-13,16H2,1-2H3,(H2,27,29,30);2-3,5-8,13-14,16,19H,4,9-12,15H2,1H3,(H,27,28,29);3-4,6-9,12-13,15,17H,5,10-11,14H2,1-2H3,(H2,25,27,28);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);;;;/t21-,25+;21-;19-;;17-;14-;;;;/m000.00..../s1
InChIKeyWUBFIKXGXGTLJI-ROMXQKPWSA-N
MW2974.30 g/mol
LogP20.42
Rot. Bonds41

About 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid

4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid (PubChem CID 165091500) has the molecular formula C156H160F3N47O14 and a molecular weight of 2974.30 g/mol. Its IUPAC name is 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
PubChem CID165091500
Molecular FormulaC156H160F3N47O14
Molecular Weight2974.30 g/mol
Exact Mass2972.32
IUPAC Name4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@@H](C)C(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(NC3CC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC[C@@H]5C(=O)O)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCC5)n4)nn3)nc(N)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H30N8O3.C26H28N8O.C26H30N8.C25H26N8.C24H26N8.C23H20F3N7O2.4CO2/c1-18-5-2-6-19(13-18)22-14-23(32-28(31-22)30-21-10-12-39-17-21)24-16-35(34-33-24)15-20-7-3-9-26(29-20)36-11-4-8-25(36)27(37)38;1-18-5-2-6-19(13-18)22-14-23(30-26(29-22)28-21-9-12-35-17-21)24-16-34(32-31-24)15-20-7-3-8-25(27-20)33-10-4-11-33;1-18-8-6-9-20(14-18)23-15-24(30-26(27)29-23)25-17-34(32-31-25)16-21-10-7-11-22(28-21)19(2)33-12-4-3-5-13-33;1-17-5-2-6-18(13-17)21-14-22(29-25(28-21)27-19-9-10-19)23-16-33(31-30-23)15-20-7-3-8-24(26-20)32-11-4-12-32;1-16-6-3-7-18(12-16)21-13-22(28-24(25)27-21)23-15-32(30-29-23)14-19-8-4-9-20(26-19)17(2)31-10-5-11-31;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;4*2-1-3/h2-3,5-7,9,13-14,16,21,25H,4,8,10-12,15,17H2,1H3,(H,37,38)(H,30,31,32);2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);6-11,14-15,17,19H,3-5,12-13,16H2,1-2H3,(H2,27,29,30);2-3,5-8,13-14,16,19H,4,9-12,15H2,1H3,(H,27,28,29);3-4,6-9,12-13,15,17H,5,10-11,14H2,1-2H3,(H2,25,27,28);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);;;;/t21-,25+;21-;19-;;17-;14-;;;;/m000.00..../s1
InChIKeyWUBFIKXGXGTLJI-ROMXQKPWSA-N
XLogP20.42
TPSA762.26 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds41
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002974.30
LogP ≤ 520.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Analyze 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclobutyl-4-methylpiperazine;2-cyclopropyl-1-[(3R)-1-methylpyrrolidin-3-yl]ethanone;3,3-difluoro-1-methylpyrrolidine;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,4-dimethylpiperazine;(3S)-3-ethylpyrrolidine;2-methoxy-N,N-dimethylethanamine;2-(2-methoxyethyl)-1,4-dimethylpiperazine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane;1-(2-methoxyethyl)-5-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-(methoxymethyl)-1,4-dimethylpiperazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;methyl 1-methylpiperidine-3-carboxylate;2-(4-methylpiperazin-1-yl)acetamide;5-(4-methylpiperazin-1-yl)pentan-2-one;1-[(3R)-1-methylpyrrolidin-3-yl]propan-2-one;1,2,2,4-tetramethylpiperazine
CID 159949933
(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-[2-[4-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]piperazin-1-yl]ethoxy]ethanol;4-N-piperidin-4-yl-2-N-[[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine
CID 160430761
4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)-N-propan-2-ylpyrimidin-2-amine;tris(carbon dioxide);2-[[4-[1-[(6-cyclopropyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-yl]amino]acetic acid;4-(3-methylphenyl)-N-[(3R)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;2-[[4-(3-methylphenyl)-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetic acid;2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetic acid
CID 164950947
CID 165037537
CID 165037537
4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(2-fluoro-3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-(2-methoxyethyl)-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2S)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-[(2R)-1-methoxypropan-2-yl]-6-(3-methylphenyl)pyrimidin-2-amine;pentakis(carbon dioxide);4-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]-6-[1-[(6-propan-2-yl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-2-amine;(2R)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid
CID 165045582
CID 158100065
CID 158100065
CID 158156529
CID 158156529
(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]pentanoic acid;5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]pentanoic acid;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-methyl-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[2-[4-[3-(4-cyclohexylbutylamino)propyl]triazol-1-yl]ethyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine
CID 160916950
(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid
CID 162056123
(2R)-2-[(3S)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazol-1-yl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
CID 162056394
2-[[4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)-2-pyridinyl]amino]acetic acid;bis(carbon dioxide);(2S)-1-[6-[[4-[2-(cyclopropylamino)-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;6-(3-methylphenyl)-4-[1-[[6-[(1S)-1-piperidin-1-ylpropyl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine;4-(3-methylphenyl)-6-[1-[[6-[(1R)-1-piperidin-1-ylpropyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-1-[6-[[4-[6-(3-methylphenyl)-2-(propan-2-ylamino)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 164953594
2-[[4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-yl]amino]acetic acid;(2R)-1-[6-[[4-[2-(cyclopropylamino)-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;(2S)-1-[6-[[4-[2-(2-methoxyethylamino)-6-(3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;(2S)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;(2S)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-(propan-2-ylamino)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 164961449

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The IUPAC name of 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid (CID 165091500) is 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid.
What is the SMILES notation for 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The canonical SMILES for 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid is Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(N[C@@H](C)C(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(NC3CC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC[C@@H]5C(=O)O)n4)nn3)nc(N[C@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCC5)n4)nn3)nc(N)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc([C@H](C)N5CCCCC5)n4)nn3)nc(N)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
The InChIKey is WUBFIKXGXGTLJI-ROMXQKPWSA-N. The full InChI is InChI=1S/C28H30N8O3.C26H28N8O.C26H30N8.C25H26N8.C24H26N8.C23H20F3N7O2.4CO2/c1-18-5-2-6-19(13-18)22-14-23(32-28(31-22)30-21-10-12-39-17-21)24-16-35(34-33-24)15-20-7-3-9-26(29-20)36-11-4-8-25(36)27(37)38;1-18-5-2-6-19(13-18)22-14-23(30-26(29-22)28-21-9-12-35-17-21)24-16-34(32-31-24)15-20-7-3-8-25(27-20)33-10-4-11-33;1-18-8-6-9-20(14-18)23-15-24(30-26(27)29-23)25-17-34(32-31-25)16-21-10-7-11-22(28-21)19(2)33-12-4-3-5-13-33;1-17-5-2-6-18(13-17)21-14-22(29-25(28-21)27-19-9-10-19)23-16-33(31-30-23)15-20-7-3-8-24(26-20)32-11-4-12-32;1-16-6-3-7-18(12-16)21-13-22(28-24(25)27-21)23-15-32(30-29-23)14-19-8-4-9-20(26-19)17(2)31-10-5-11-31;1-13-5-3-6-15(9-13)17-10-18(30-22(29-17)27-14(2)21(34)35)19-12-33(32-31-19)11-16-7-4-8-20(28-16)23(24,25)26;4*2-1-3/h2-3,5-7,9,13-14,16,21,25H,4,8,10-12,15,17H2,1H3,(H,37,38)(H,30,31,32);2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);6-11,14-15,17,19H,3-5,12-13,16H2,1-2H3,(H2,27,29,30);2-3,5-8,13-14,16,19H,4,9-12,15H2,1H3,(H,27,28,29);3-4,6-9,12-13,15,17H,5,10-11,14H2,1-2H3,(H2,25,27,28);3-10,12,14H,11H2,1-2H3,(H,34,35)(H,27,29,30);;;;/t21-,25+;21-;19-;;17-;14-;;;;/m000.00..../s1.
What are the key properties of 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid?
4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid has a molecular weight of 2974.30 g/mol, XLogP of 20.42, 41 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-[(1S)-1-(azetidin-1-yl)ethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine;4-[1-[[6-(azetidin-1-yl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-methylphenyl)-N-[(3S)-oxolan-3-yl]pyrimidin-2-amine;tetrakis(carbon dioxide);(2R)-1-[6-[[4-[6-(3-methylphenyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;4-(3-methylphenyl)-6-[1-[[6-[(1S)-1-piperidin-1-ylethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine;(2S)-2-[[4-(3-methylphenyl)-6-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]propanoic acid is sourced from PubChem (CID 165091500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).