4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone

C170H175Cl3F15N33O7 — CID 161014290

IUPAC4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone
SMILESCCc1ccc(C(=O)C[C@@]2(C)CCC[C@@H](Cc3ncc(C(F)(F)F)c(-c4[nH]nc5c(C)cccc45)n3)C2)cc1F.CN(C)CC(O)CC(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(C(F)(F)F)c(-c4n[nH]c5ccccc45)n3)C2)cc1Cl.C[C@]1(CC(=O)c2ccc(N)c(F)c2)CCC[C@@H](Cc2ncc(C(F)(F)F)c(-c3n[nH]c4ccccc34)n2)C1.C[C@]1(CC(=O)c2ccc(N)cc2)CCC[C@@H](Cc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1.Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Nc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1
InChIInChI=1S/C32H36ClF3N8O3.C31H32F4N4O.C28H29ClN4O.C28H27F4N5O.C26H26ClF3N6.C25H25FN6O/c1-31(41-29(47)18-10-11-25(23(33)13-18)39-26(46)14-20(45)17-44(2)3)12-6-7-19(15-31)38-30-37-16-22(32(34,35)36)28(40-30)27-21-8-4-5-9-24(21)42-43-27;1-4-20-10-11-21(14-24(20)32)25(40)16-30(3)12-6-8-19(15-30)13-26-36-17-23(31(33,34)35)29(37-26)28-22-9-5-7-18(2)27(22)38-39-28;1-28(15-25(34)19-8-10-20(30)11-9-19)12-4-5-18(14-28)13-26-32-17-23(29)27(33-26)22-16-31-24-7-3-2-6-21(22)24;1-27(14-23(38)17-8-9-21(33)20(29)12-17)10-4-5-16(13-27)11-24-34-15-19(28(30,31)32)26(35-24)25-18-6-2-3-7-22(18)36-37-25;27-21-14-33-25(36-23(21)20-13-32-22-7-2-1-6-19(20)22)35-18-5-3-4-17(12-18)34-24(26(28,29)30)15-8-10-16(31)11-9-15;26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h4-5,8-11,13,16,19-20,45H,6-7,12,14-15,17H2,1-3H3,(H,39,46)(H,41,47)(H,42,43)(H,37,38,40);5,7,9-11,14,17,19H,4,6,8,12-13,15-16H2,1-3H3,(H,38,39);2-3,6-11,16-18,31H,4-5,12-15,30H2,1H3;2-3,6-9,12,15-16H,4-5,10-11,13-14,33H2,1H3,(H,36,37);1-2,6-11,13-14,17-18,24,32,34H,3-5,12,31H2,(H,33,35,36);1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t19-,20?,31+;19-,30-;18-,28-;16-,27-;17-,18+,24+;17-,18+/m100000/s1
InChIKeyTXNFOYNREZFZPO-AHJZHZCBSA-N
MW3183.82 g/mol
LogP38.17
Rot. Bonds40

About 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone

4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone (PubChem CID 161014290) has the molecular formula C170H175Cl3F15N33O7 and a molecular weight of 3183.82 g/mol. Its IUPAC name is 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone
PubChem CID161014290
Molecular FormulaC170H175Cl3F15N33O7
Molecular Weight3183.82 g/mol
Exact Mass3180.32
IUPAC Name4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone
SMILESCCc1ccc(C(=O)C[C@@]2(C)CCC[C@@H](Cc3ncc(C(F)(F)F)c(-c4[nH]nc5c(C)cccc45)n3)C2)cc1F.CN(C)CC(O)CC(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(C(F)(F)F)c(-c4n[nH]c5ccccc45)n3)C2)cc1Cl.C[C@]1(CC(=O)c2ccc(N)c(F)c2)CCC[C@@H](Cc2ncc(C(F)(F)F)c(-c3n[nH]c4ccccc34)n2)C1.C[C@]1(CC(=O)c2ccc(N)cc2)CCC[C@@H](Cc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1.Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Nc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1
InChIInChI=1S/C32H36ClF3N8O3.C31H32F4N4O.C28H29ClN4O.C28H27F4N5O.C26H26ClF3N6.C25H25FN6O/c1-31(41-29(47)18-10-11-25(23(33)13-18)39-26(46)14-20(45)17-44(2)3)12-6-7-19(15-31)38-30-37-16-22(32(34,35)36)28(40-30)27-21-8-4-5-9-24(21)42-43-27;1-4-20-10-11-21(14-24(20)32)25(40)16-30(3)12-6-8-19(15-30)13-26-36-17-23(31(33,34)35)29(37-26)28-22-9-5-7-18(2)27(22)38-39-28;1-28(15-25(34)19-8-10-20(30)11-9-19)12-4-5-18(14-28)13-26-32-17-23(29)27(33-26)22-16-31-24-7-3-2-6-21(22)24;1-27(14-23(38)17-8-9-21(33)20(29)12-17)10-4-5-16(13-27)11-24-34-15-19(28(30,31)32)26(35-24)25-18-6-2-3-7-22(18)36-37-25;27-21-14-33-25(36-23(21)20-13-32-22-7-2-1-6-19(20)22)35-18-5-3-4-17(12-18)34-24(26(28,29)30)15-8-10-16(31)11-9-15;26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h4-5,8-11,13,16,19-20,45H,6-7,12,14-15,17H2,1-3H3,(H,39,46)(H,41,47)(H,42,43)(H,37,38,40);5,7,9-11,14,17,19H,4,6,8,12-13,15-16H2,1-3H3,(H,38,39);2-3,6-11,16-18,31H,4-5,12-15,30H2,1H3;2-3,6-9,12,15-16H,4-5,10-11,13-14,33H2,1H3,(H,36,37);1-2,6-11,13-14,17-18,24,32,34H,3-5,12,31H2,(H,33,35,36);1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t19-,20?,31+;19-,30-;18-,28-;16-,27-;17-,18+,24+;17-,18+/m100000/s1
InChIKeyTXNFOYNREZFZPO-AHJZHZCBSA-N
XLogP38.17
TPSA602.27 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003183.82
LogP ≤ 538.17
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone with MolForge

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Related Compounds

N-[1-[5-chloro-2-[5-[(1R)-1-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]ethyl]-2-(trifluoromethyl)pyridin-3-yl]pyridin-4-yl]piperidin-4-yl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387455
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157080153
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
6-(7-chloro-1H-indazol-5-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one;N-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide;6-(7-chloro-1H-indazol-5-yl)-3-(2-oxo-3-pyridin-3-ylpropyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
CID 157657152
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157805183
CID 158304256
CID 158304256
1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[5-(1,1-difluoroethyl)-4-(1H-indazol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;bis(2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]-1-(4-methylphenyl)ethanone);N-[(1S,3R)-3-[[5-chloro-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide;2-[(1S,3R)-3-[[5-(1,1-difluoroethyl)-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]-1-(4-ethyl-3-fluorophenyl)ethanone
CID 158382550
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158489878
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;ethane;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159427186
7-chloro-N-methyl-5-[[4-(4-propyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[1-[7-chloro-5-[[4-(4-propyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(diazinan-1-yl)methanone;2-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)-7-(trifluoromethyl)-1H-indol-5-amine
CID 160420358
CID 161170972
CID 161170972
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 161409866

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone?
The IUPAC name of 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone (CID 161014290) is 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone.
What is the SMILES notation for 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone?
The canonical SMILES for 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone is CCc1ccc(C(=O)C[C@@]2(C)CCC[C@@H](Cc3ncc(C(F)(F)F)c(-c4[nH]nc5c(C)cccc45)n3)C2)cc1F.CN(C)CC(O)CC(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(C(F)(F)F)c(-c4n[nH]c5ccccc45)n3)C2)cc1Cl.C[C@]1(CC(=O)c2ccc(N)c(F)c2)CCC[C@@H](Cc2ncc(C(F)(F)F)c(-c3n[nH]c4ccccc34)n2)C1.C[C@]1(CC(=O)c2ccc(N)cc2)CCC[C@@H](Cc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1.Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(F)c(-c4c[nH]c5ccccc45)n3)C2)cc1.Nc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)C(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone?
The InChIKey is TXNFOYNREZFZPO-AHJZHZCBSA-N. The full InChI is InChI=1S/C32H36ClF3N8O3.C31H32F4N4O.C28H29ClN4O.C28H27F4N5O.C26H26ClF3N6.C25H25FN6O/c1-31(41-29(47)18-10-11-25(23(33)13-18)39-26(46)14-20(45)17-44(2)3)12-6-7-19(15-31)38-30-37-16-22(32(34,35)36)28(40-30)27-21-8-4-5-9-24(21)42-43-27;1-4-20-10-11-21(14-24(20)32)25(40)16-30(3)12-6-8-19(15-30)13-26-36-17-23(31(33,34)35)29(37-26)28-22-9-5-7-18(2)27(22)38-39-28;1-28(15-25(34)19-8-10-20(30)11-9-19)12-4-5-18(14-28)13-26-32-17-23(29)27(33-26)22-16-31-24-7-3-2-6-21(22)24;1-27(14-23(38)17-8-9-21(33)20(29)12-17)10-4-5-16(13-27)11-24-34-15-19(28(30,31)32)26(35-24)25-18-6-2-3-7-22(18)36-37-25;27-21-14-33-25(36-23(21)20-13-32-22-7-2-1-6-19(20)22)35-18-5-3-4-17(12-18)34-24(26(28,29)30)15-8-10-16(31)11-9-15;26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h4-5,8-11,13,16,19-20,45H,6-7,12,14-15,17H2,1-3H3,(H,39,46)(H,41,47)(H,42,43)(H,37,38,40);5,7,9-11,14,17,19H,4,6,8,12-13,15-16H2,1-3H3,(H,38,39);2-3,6-11,16-18,31H,4-5,12-15,30H2,1H3;2-3,6-9,12,15-16H,4-5,10-11,13-14,33H2,1H3,(H,36,37);1-2,6-11,13-14,17-18,24,32,34H,3-5,12,31H2,(H,33,35,36);1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t19-,20?,31+;19-,30-;18-,28-;16-,27-;17-,18+,24+;17-,18+/m100000/s1.
What are the key properties of 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone?
4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone has a molecular weight of 3183.82 g/mol, XLogP of 38.17, 40 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone is sourced from PubChem (CID 161014290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).