(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine

C132H160F7N41O7S — CID 167678717

IUPAC(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1nc(-c2c(C(F)(F)F)nn(C3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CC3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CS(C)(=O)=O)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3cc(F)cc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C28H37N9O.C27H29F4N7O.C27H32F3N9O.C26H32N8O.C24H30N8O3S/c1-18-17-38-13-12-35(18)25-14-23(26-19(2)34-36(20(26)3)16-21-8-7-11-30-15-21)32-28(33-25)37-24-10-6-5-9-22(24)31-27(37)29-4;1-15-14-39-10-9-37(15)23-13-22(34-26(35-23)20-11-17(28)12-21-19(20)5-8-33-21)24-16(2)38(18-3-6-32-7-4-18)36-25(24)27(29,30)31;1-16-15-40-12-11-37(16)22-13-20(34-26(35-22)38-21-9-5-4-8-19(21)33-25(38)31-3)23-17(2)39(18-7-6-10-32-14-18)36-24(23)27(28,29)30;1-17-15-35-13-12-32(17)24-14-22(25-18(2)31-34(19(25)3)20-8-10-27-11-9-20)29-26(30-24)33-16-28-21-6-4-5-7-23(21)33;1-15-13-35-11-10-30(15)21-12-19(22-16(2)29-31(17(22)3)14-36(5,33)34)27-24(28-21)32-20-9-7-6-8-18(20)26-23(32)25-4/h5-6,9-10,14,18,21,30H,7-8,11-13,15-17H2,1-4H3,(H,29,31);5,8,11-13,15,18,32-33H,3-4,6-7,9-10,14H2,1-2H3;4-5,8-9,13,16,18,32H,6-7,10-12,14-15H2,1-3H3,(H,31,33);4-7,14,16-17,20,27H,8-13,15H2,1-3H3;6-9,12,15H,10-11,13-14H2,1-5H3,(H,25,26)/t18-,21?;15-;16-,18?;17-;15-/m11111/s1
InChIKeyVEZUXCYSTJACRT-HQGVFMEWSA-N
MW2598.06 g/mol
LogP18.87
Rot. Bonds25

About (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine

(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine (PubChem CID 167678717) has the molecular formula C132H160F7N41O7S and a molecular weight of 2598.06 g/mol. Its IUPAC name is (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine
PubChem CID167678717
Molecular FormulaC132H160F7N41O7S
Molecular Weight2598.06 g/mol
Exact Mass2596.30
IUPAC Name(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine
SMILESCNc1nc2ccccc2n1-c1nc(-c2c(C(F)(F)F)nn(C3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CC3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CS(C)(=O)=O)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3cc(F)cc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C28H37N9O.C27H29F4N7O.C27H32F3N9O.C26H32N8O.C24H30N8O3S/c1-18-17-38-13-12-35(18)25-14-23(26-19(2)34-36(20(26)3)16-21-8-7-11-30-15-21)32-28(33-25)37-24-10-6-5-9-22(24)31-27(37)29-4;1-15-14-39-10-9-37(15)23-13-22(34-26(35-23)20-11-17(28)12-21-19(20)5-8-33-21)24-16(2)38(18-3-6-32-7-4-18)36-25(24)27(29,30)31;1-16-15-40-12-11-37(16)22-13-20(34-26(35-22)38-21-9-5-4-8-19(21)33-25(38)31-3)23-17(2)39(18-7-6-10-32-14-18)36-24(23)27(28,29)30;1-17-15-35-13-12-32(17)24-14-22(25-18(2)31-34(19(25)3)20-8-10-27-11-9-20)29-26(30-24)33-16-28-21-6-4-5-7-23(21)33;1-15-13-35-11-10-30(15)21-12-19(22-16(2)29-31(17(22)3)14-36(5,33)34)27-24(28-21)32-20-9-7-6-8-18(20)26-23(32)25-4/h5-6,9-10,14,18,21,30H,7-8,11-13,15-17H2,1-4H3,(H,29,31);5,8,11-13,15,18,32-33H,3-4,6-7,9-10,14H2,1-2H3;4-5,8-9,13,16,18,32H,6-7,10-12,14-15H2,1-3H3,(H,31,33);4-7,14,16-17,20,27H,8-13,15H2,1-3H3;6-9,12,15H,10-11,13-14H2,1-5H3,(H,25,26)/t18-,21?;15-;16-,18?;17-;15-/m11111/s1
InChIKeyVEZUXCYSTJACRT-HQGVFMEWSA-N
XLogP18.87
TPSA485.77 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.06
LogP ≤ 518.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

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

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Launch Full Analysis

Related Compounds

4-[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine
CID 25263585
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
N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
N-[[3-fluoro-5-[7-[3-[[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]cyclohexyl]-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 139418237
N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 157116096
N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
CID 157260378
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
N-[4-[(dimethylamino)methyl]phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[3-(1-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-morpholin-4-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;1-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]imidazolidin-2-one;3-methyl-N-(4-pyrimidin-2-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 158017945
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 158953793
CID 159079625
CID 159079625
2-(azetidin-1-yl)-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-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;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 159400485
1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 159759247

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine?
The IUPAC name of (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine (CID 167678717) is (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine.
What is the SMILES notation for (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine?
The canonical SMILES for (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine is CNc1nc2ccccc2n1-c1nc(-c2c(C(F)(F)F)nn(C3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CC3CCCNC3)c2C)cc(N2CCOC[C@H]2C)n1.CNc1nc2ccccc2n1-c1nc(-c2c(C)nn(CS(C)(=O)=O)c2C)cc(N2CCOC[C@H]2C)n1.Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3cc(F)cc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCNCC1.Cc1nn(C2CCNCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine?
The InChIKey is VEZUXCYSTJACRT-HQGVFMEWSA-N. The full InChI is InChI=1S/C28H37N9O.C27H29F4N7O.C27H32F3N9O.C26H32N8O.C24H30N8O3S/c1-18-17-38-13-12-35(18)25-14-23(26-19(2)34-36(20(26)3)16-21-8-7-11-30-15-21)32-28(33-25)37-24-10-6-5-9-22(24)31-27(37)29-4;1-15-14-39-10-9-37(15)23-13-22(34-26(35-23)20-11-17(28)12-21-19(20)5-8-33-21)24-16(2)38(18-3-6-32-7-4-18)36-25(24)27(29,30)31;1-16-15-40-12-11-37(16)22-13-20(34-26(35-22)38-21-9-5-4-8-19(21)33-25(38)31-3)23-17(2)39(18-7-6-10-32-14-18)36-24(23)27(28,29)30;1-17-15-35-13-12-32(17)24-14-22(25-18(2)31-34(19(25)3)20-8-10-27-11-9-20)29-26(30-24)33-16-28-21-6-4-5-7-23(21)33;1-15-13-35-11-10-30(15)21-12-19(22-16(2)29-31(17(22)3)14-36(5,33)34)27-24(28-21)32-20-9-7-6-8-18(20)26-23(32)25-4/h5-6,9-10,14,18,21,30H,7-8,11-13,15-17H2,1-4H3,(H,29,31);5,8,11-13,15,18,32-33H,3-4,6-7,9-10,14H2,1-2H3;4-5,8-9,13,16,18,32H,6-7,10-12,14-15H2,1-3H3,(H,31,33);4-7,14,16-17,20,27H,8-13,15H2,1-3H3;6-9,12,15H,10-11,13-14H2,1-5H3,(H,25,26)/t18-,21?;15-;16-,18?;17-;15-/m11111/s1.
What are the key properties of (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine?
(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine has a molecular weight of 2598.06 g/mol, XLogP of 18.87, 25 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 167678717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).