1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile

C136H166F4N44O6 — CID 167580458

IUPAC1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile
SMILESCC(=O)Nc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2cc(F)ccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccc(C#N)c4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2c(N)nc3ccccc32)n1
InChIInChI=1S/C28H29F3N8O.C28H35N9O2.C27H34FN9O.C27H35N9O.C26H33N9O/c1-16-15-40-12-11-38(16)23-13-22(35-27(36-23)21-4-3-18(14-32)25-20(21)7-10-34-25)24-17(2)39(19-5-8-33-9-6-19)37-26(24)28(29,30)31;1-17-16-39-14-13-35(17)25-15-23(26-18(2)34-37(19(26)3)21-9-11-29-12-10-21)32-28(33-25)36-24-8-6-5-7-22(24)31-27(36)30-20(4)38;1-16-15-38-12-11-35(16)24-14-22(25-17(2)34-37(18(25)3)20-7-9-30-10-8-20)32-27(33-24)36-23-6-5-19(28)13-21(23)31-26(36)29-4;1-17-16-37-14-13-34(17)24-15-22(25-18(2)33-36(19(25)3)20-9-11-29-12-10-20)31-27(32-24)35-23-8-6-5-7-21(23)30-26(35)28-4;1-16-15-36-13-12-33(16)23-14-21(24-17(2)32-35(18(24)3)19-8-10-28-11-9-19)30-26(31-23)34-22-7-5-4-6-20(22)29-25(34)27/h3-4,7,10,13,16,19,33-34H,5-6,8-9,11-12,15H2,1-2H3;5-8,15,17,21,29H,9-14,16H2,1-4H3,(H,30,31,38);5-6,13-14,16,20,30H,7-12,15H2,1-4H3,(H,29,31);5-8,15,17,20,29H,9-14,16H2,1-4H3,(H,28,30);4-7,14,16,19,28H,8-13,15H2,1-3H3,(H2,27,29)/t16-;17-;16-;17-;16-/m11111/s1
InChIKeyHCNCGLSMGMTDIL-DVNVFVNZSA-N
MW2589.12 g/mol
LogP18.38
Rot. Bonds23

About 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile

1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile (PubChem CID 167580458) has the molecular formula C136H166F4N44O6 and a molecular weight of 2589.12 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile
PubChem CID167580458
Molecular FormulaC136H166F4N44O6
Molecular Weight2589.12 g/mol
Exact Mass2587.40
IUPAC Name1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile
SMILESCC(=O)Nc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2cc(F)ccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccc(C#N)c4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2c(N)nc3ccccc32)n1
InChIInChI=1S/C28H29F3N8O.C28H35N9O2.C27H34FN9O.C27H35N9O.C26H33N9O/c1-16-15-40-12-11-38(16)23-13-22(35-27(36-23)21-4-3-18(14-32)25-20(21)7-10-34-25)24-17(2)39(19-5-8-33-9-6-19)37-26(24)28(29,30)31;1-17-16-39-14-13-35(17)25-15-23(26-18(2)34-37(19(26)3)21-9-11-29-12-10-21)32-28(33-25)36-24-8-6-5-7-22(24)31-27(36)30-20(4)38;1-16-15-38-12-11-35(16)24-14-22(25-17(2)34-37(18(25)3)20-7-9-30-10-8-20)32-27(33-24)36-23-6-5-19(28)13-21(23)31-26(36)29-4;1-17-16-37-14-13-34(17)24-15-22(25-18(2)33-36(19(25)3)20-9-11-29-12-10-20)31-27(32-24)35-23-8-6-5-7-21(23)30-26(35)28-4;1-16-15-36-13-12-33(16)23-14-21(24-17(2)32-35(18(24)3)19-8-10-28-11-9-19)30-26(31-23)34-22-7-5-4-6-20(22)29-25(34)27/h3-4,7,10,13,16,19,33-34H,5-6,8-9,11-12,15H2,1-2H3;5-8,15,17,21,29H,9-14,16H2,1-4H3,(H,30,31,38);5-6,13-14,16,20,30H,7-12,15H2,1-4H3,(H,29,31);5-8,15,17,20,29H,9-14,16H2,1-4H3,(H,28,30);4-7,14,16,19,28H,8-13,15H2,1-3H3,(H2,27,29)/t16-;17-;16-;17-;16-/m11111/s1
InChIKeyHCNCGLSMGMTDIL-DVNVFVNZSA-N
XLogP18.38
TPSA530.54 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds23
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.12
LogP ≤ 518.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile with MolForge

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Related Compounds

5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
2-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-7-[1-methyl-6-[2-morpholin-4-yl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]anilino]pyrimidin-4-yl]indazol-3-yl]indazol-5-amine
CID 129022756
4-[(dimethylamino)methyl]-3-[[4-[2-[2-[[2-fluoro-3-[[4-[2-[1-[[2-fluoro-3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]phenyl]methylamino]ethoxy]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzonitrile
CID 132035499
4-[3-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]-3-(trifluoromethyl)indazol-5-yl]-6-[[7-[3-[[1-(trifluoromethyl)isoquinolin-6-yl]amino]-1H-pyrazolo[3,4-b]pyrazin-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinolin-1-yl]morpholin-3-one
CID 137551823
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-methyl-6-propan-2-ylpyridine-3-carboxamide;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-propan-2-yl-1,3-dihydroindol-2-one;1-(3-propan-2-ylindol-1-yl)ethanone;5-propan-2-yl-2-pyridazin-4-ylpyrimidine;3-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-ylpyrimidin-2-yl)-1H-pyridin-2-one;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157184130
3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157312835
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157565495
(E)-1-[(2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;1-[(2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[4-[7-(6-methyl-1H-indazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 157595022
2-cyclobutyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-1,3-dihydroindol-2-one;1-(3-propan-2-ylindol-1-yl)ethanone;5-propan-2-yl-2-pyridazin-4-ylpyrimidine;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(5-propan-2-ylpyrimidin-2-yl)-1H-pyridin-2-one;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157617411

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile?
The IUPAC name of 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile (CID 167580458) is 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile?
The canonical SMILES for 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile is CC(=O)Nc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2cc(F)ccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(C3CCNCC3)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccc(C#N)c4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2c(N)nc3ccccc32)n1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile?
The InChIKey is HCNCGLSMGMTDIL-DVNVFVNZSA-N. The full InChI is InChI=1S/C28H29F3N8O.C28H35N9O2.C27H34FN9O.C27H35N9O.C26H33N9O/c1-16-15-40-12-11-38(16)23-13-22(35-27(36-23)21-4-3-18(14-32)25-20(21)7-10-34-25)24-17(2)39(19-5-8-33-9-6-19)37-26(24)28(29,30)31;1-17-16-39-14-13-35(17)25-15-23(26-18(2)34-37(19(26)3)21-9-11-29-12-10-21)32-28(33-25)36-24-8-6-5-7-22(24)31-27(36)30-20(4)38;1-16-15-38-12-11-35(16)24-14-22(25-17(2)34-37(18(25)3)20-7-9-30-10-8-20)32-27(33-24)36-23-6-5-19(28)13-21(23)31-26(36)29-4;1-17-16-37-14-13-34(17)24-15-22(25-18(2)33-36(19(25)3)20-9-11-29-12-10-20)31-27(32-24)35-23-8-6-5-7-21(23)30-26(35)28-4;1-16-15-36-13-12-33(16)23-14-21(24-17(2)32-35(18(24)3)19-8-10-28-11-9-19)30-26(31-23)34-22-7-5-4-6-20(22)29-25(34)27/h3-4,7,10,13,16,19,33-34H,5-6,8-9,11-12,15H2,1-2H3;5-8,15,17,21,29H,9-14,16H2,1-4H3,(H,30,31,38);5-6,13-14,16,20,30H,7-12,15H2,1-4H3,(H,29,31);5-8,15,17,20,29H,9-14,16H2,1-4H3,(H,28,30);4-7,14,16,19,28H,8-13,15H2,1-3H3,(H2,27,29)/t16-;17-;16-;17-;16-/m11111/s1.
What are the key properties of 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile?
1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile has a molecular weight of 2589.12 g/mol, XLogP of 18.38, 23 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 167580458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).