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

C151H154F3N43O14 — CID 164950947

IUPAC4-[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
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(NC(C)C)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C5CC5)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C26H28N8O.C26H29N7O.C26H31N7.C24H23N7O2.C24H25N7O2.C22H18F3N7O2.3CO2/c1-18-5-2-6-19(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;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-17(2)27-25-29-21(19-10-7-9-18(3)13-19)14-22(30-25)23-16-33(32-31-23)15-20-11-8-12-24(28-20)26(4,5)6;1-15-4-2-5-17(10-15)20-11-21(28-24(27-20)25-12-23(32)33)22-14-31(30-29-22)13-18-6-3-7-19(26-18)16-8-9-16;1-15(2)19-9-5-8-18(26-19)13-31-14-22(29-30-31)21-11-20(17-7-4-6-16(3)10-17)27-24(28-21)25-12-23(32)33;1-13-4-2-5-14(8-13)16-9-17(29-21(28-16)26-10-20(33)34)18-12-32(31-30-18)11-15-6-3-7-19(27-15)22(23,24)25;3*2-1-3/h2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);7-14,16-17H,15H2,1-6H3,(H,27,29,30);2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,32,33)(H,25,27,28);4-11,14-15H,12-13H2,1-3H3,(H,32,33)(H,25,27,28);2-9,12H,10-11H2,1H3,(H,33,34)(H,26,28,29);;;/t2*21-;;;;;;;/m11......./s1
InChIKeyANERXYGKOGHRTH-WUVOKLPFSA-N
MW2852.17 g/mol
LogP22.53
Rot. Bonds43

About 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

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 (PubChem CID 164950947) has the molecular formula C151H154F3N43O14 and a molecular weight of 2852.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID164950947
Molecular FormulaC151H154F3N43O14
Molecular Weight2852.17 g/mol
Exact Mass2850.26
IUPAC Name4-[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
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(NC(C)C)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C5CC5)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C26H28N8O.C26H29N7O.C26H31N7.C24H23N7O2.C24H25N7O2.C22H18F3N7O2.3CO2/c1-18-5-2-6-19(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;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-17(2)27-25-29-21(19-10-7-9-18(3)13-19)14-22(30-25)23-16-33(32-31-23)15-20-11-8-12-24(28-20)26(4,5)6;1-15-4-2-5-17(10-15)20-11-21(28-24(27-20)25-12-23(32)33)22-14-31(30-29-22)13-18-6-3-7-19(26-18)16-8-9-16;1-15(2)19-9-5-8-18(26-19)13-31-14-22(29-30-31)21-11-20(17-7-4-6-16(3)10-17)27-24(28-21)25-12-23(32)33;1-13-4-2-5-14(8-13)16-9-17(29-21(28-16)26-10-20(33)34)18-12-32(31-30-18)11-15-6-3-7-19(27-15)22(23,24)25;3*2-1-3/h2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);7-14,16-17H,15H2,1-6H3,(H,27,29,30);2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,32,33)(H,25,27,28);4-11,14-15H,12-13H2,1-3H3,(H,32,33)(H,25,27,28);2-9,12H,10-11H2,1H3,(H,33,34)(H,26,28,29);;;/t2*21-;;;;;;;/m11......./s1
InChIKeyANERXYGKOGHRTH-WUVOKLPFSA-N
XLogP22.53
TPSA724.48 Ų
H-Bond Donors9
H-Bond Acceptors54
Rotatable Bonds43
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002852.17
LogP ≤ 522.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1054

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[2-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]propane-1,3-diamine
CID 157415743
8-(dimethylamino)-3-[2-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 160345454
methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161199016
4-[2-(3-aminopropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[2-(dimethylamino)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[3-(dimethylamino)propyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-[3-(methylamino)propyl]-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[3-methyl-2-(morpholin-4-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 161573385
(Z)-N'-cyclopropyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-hydroxyazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
CID 161741368
4-Tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine
CID 163857492
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
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
(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 167622376
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;5-fluoro-4-morpholin-4-yl-N-[(E)-[4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;2-[[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]amino]acetic acid;6-methyl-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;4-methyl-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-6-pyridin-3-ylpyrimidin-2-amine
CID 172939014
5-[3-cyclopropyl-5-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1-pyrazin-2-yl-1,2,4-triazol-3-amine;3-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyridin-2-amine;3-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-6-[4-(oxetan-3-yl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine;3-[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyridin-2-amine;N-[3-[4-(oxetan-3-yl)piperazin-1-yl]-5-propan-2-ylphenyl]-1-pyrazin-2-yl-1,2,4-triazol-3-amine
CID 173659997

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)(C)C)n4)nn3)nc(NC(C)C)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(C)C)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(C5CC5)n4)nn3)nc(NCC(=O)O)n2)c1.Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(N[C@@H]3CCOC3)n2)c1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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?
The InChIKey is ANERXYGKOGHRTH-WUVOKLPFSA-N. The full InChI is InChI=1S/C26H28N8O.C26H29N7O.C26H31N7.C24H23N7O2.C24H25N7O2.C22H18F3N7O2.3CO2/c1-18-5-2-6-19(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;1-17(2)22-9-5-8-20(27-22)14-33-15-25(31-32-33)24-13-23(19-7-4-6-18(3)12-19)29-26(30-24)28-21-10-11-34-16-21;1-17(2)27-25-29-21(19-10-7-9-18(3)13-19)14-22(30-25)23-16-33(32-31-23)15-20-11-8-12-24(28-20)26(4,5)6;1-15-4-2-5-17(10-15)20-11-21(28-24(27-20)25-12-23(32)33)22-14-31(30-29-22)13-18-6-3-7-19(26-18)16-8-9-16;1-15(2)19-9-5-8-18(26-19)13-31-14-22(29-30-31)21-11-20(17-7-4-6-16(3)10-17)27-24(28-21)25-12-23(32)33;1-13-4-2-5-14(8-13)16-9-17(29-21(28-16)26-10-20(33)34)18-12-32(31-30-18)11-15-6-3-7-19(27-15)22(23,24)25;3*2-1-3/h2-3,5-8,13-14,16,21H,4,9-12,15,17H2,1H3,(H,28,29,30);4-9,12-13,15,17,21H,10-11,14,16H2,1-3H3,(H,28,29,30);7-14,16-17H,15H2,1-6H3,(H,27,29,30);2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,32,33)(H,25,27,28);4-11,14-15H,12-13H2,1-3H3,(H,32,33)(H,25,27,28);2-9,12H,10-11H2,1H3,(H,33,34)(H,26,28,29);;;/t2*21-;;;;;;;/m11......./s1.
What are the key properties of 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?
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 has a molecular weight of 2852.17 g/mol, XLogP of 22.53, 43 rotatable bonds, 9 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164950947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).