2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide

C189H191BrCl6F6N38O21 — CID 157191175

IUPAC2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ncccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2ccc(Br)nc2)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@H](C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C33H30ClFN6O3.C30H27ClFN5O3.C27H26ClFN6O3.C26H26BrN7O3.C25H29ClFN5O3.C24H27ClFN5O3.C24H26ClFN4O3/c1-20(2)41(17-31(43)39-29-10-6-8-25(33(29)35)24-7-4-5-9-28(24)34)32(44)18-40-16-27(21(3)42)26-13-22(11-12-30(26)40)38-23-14-36-19-37-15-23;1-19(2)37(17-28(39)35-15-22-6-4-7-25(31)30(22)32)29(40)18-36-16-24(20(3)38)23-14-21(8-10-26(23)36)9-11-27-33-12-5-13-34-27;1-16(2)35(13-25(37)33-23-6-4-5-22(28)27(23)29)26(38)14-34-12-21(17(3)36)20-9-18(7-8-24(20)34)32-19-10-30-15-31-11-19;1-16(2)34(13-25(36)32-19-5-7-24(27)30-11-19)26(37)14-33-12-22(17(3)35)21-8-18(4-6-23(21)33)31-20-9-28-15-29-10-20;1-15(2)11-16(3)31(13-21(33)29-12-17-7-6-9-19(26)23(17)27)22(34)14-32-20-10-5-4-8-18(20)24(30-32)25(28)35;1-3-7-15(2)30(13-20(32)28-12-16-8-6-10-18(25)22(16)26)21(33)14-31-19-11-5-4-9-17(19)23(29-31)24(27)34;1-3-15(2)30(13-21(31)28-11-16-7-6-9-19(25)23(16)26)22(32)14-29-12-18(24(27)33)17-8-4-5-10-20(17)29/h4-16,19-20,38H,17-18H2,1-3H3,(H,39,43);4-8,10,12-14,16,19H,15,17-18H2,1-3H3,(H,35,39);4-12,15-16,32H,13-14H2,1-3H3,(H,33,37);4-12,15-16,31H,13-14H2,1-3H3,(H,32,36);4-10,15-16H,11-14H2,1-3H3,(H2,28,35)(H,29,33);4-6,8-11,15H,3,7,12-14H2,1-2H3,(H2,27,34)(H,28,32);4-10,12,15H,3,11,13-14H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;;;15-/m......0/s1
InChIKeyAPSGFVSYYYWOLN-BEJLUSEBSA-N
MW3737.46 g/mol
LogP30.79
Rot. Bonds65

About 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide

2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 157191175) has the molecular formula C189H191BrCl6F6N38O21 and a molecular weight of 3737.46 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID157191175
Molecular FormulaC189H191BrCl6F6N38O21
Molecular Weight3737.46 g/mol
Exact Mass3731.23
IUPAC Name2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ncccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2ccc(Br)nc2)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@H](C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C33H30ClFN6O3.C30H27ClFN5O3.C27H26ClFN6O3.C26H26BrN7O3.C25H29ClFN5O3.C24H27ClFN5O3.C24H26ClFN4O3/c1-20(2)41(17-31(43)39-29-10-6-8-25(33(29)35)24-7-4-5-9-28(24)34)32(44)18-40-16-27(21(3)42)26-13-22(11-12-30(26)40)38-23-14-36-19-37-15-23;1-19(2)37(17-28(39)35-15-22-6-4-7-25(31)30(22)32)29(40)18-36-16-24(20(3)38)23-14-21(8-10-26(23)36)9-11-27-33-12-5-13-34-27;1-16(2)35(13-25(37)33-23-6-4-5-22(28)27(23)29)26(38)14-34-12-21(17(3)36)20-9-18(7-8-24(20)34)32-19-10-30-15-31-11-19;1-16(2)34(13-25(36)32-19-5-7-24(27)30-11-19)26(37)14-33-12-22(17(3)35)21-8-18(4-6-23(21)33)31-20-9-28-15-29-10-20;1-15(2)11-16(3)31(13-21(33)29-12-17-7-6-9-19(26)23(17)27)22(34)14-32-20-10-5-4-8-18(20)24(30-32)25(28)35;1-3-7-15(2)30(13-20(32)28-12-16-8-6-10-18(25)22(16)26)21(33)14-31-19-11-5-4-9-17(19)23(29-31)24(27)34;1-3-15(2)30(13-21(31)28-11-16-7-6-9-19(25)23(16)26)22(32)14-29-12-18(24(27)33)17-8-4-5-10-20(17)29/h4-16,19-20,38H,17-18H2,1-3H3,(H,39,43);4-8,10,12-14,16,19H,15,17-18H2,1-3H3,(H,35,39);4-12,15-16,32H,13-14H2,1-3H3,(H,33,37);4-12,15-16,31H,13-14H2,1-3H3,(H,32,36);4-10,15-16H,11-14H2,1-3H3,(H2,28,35)(H,29,33);4-6,8-11,15H,3,7,12-14H2,1-2H3,(H2,27,34)(H,28,32);4-10,12,15H,3,11,13-14H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;;;15-/m......0/s1
InChIKeyAPSGFVSYYYWOLN-BEJLUSEBSA-N
XLogP30.79
TPSA755.81 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds65
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003737.46
LogP ≤ 530.79
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[2-[[6-[4-[2-[2-[1-[2-[2-[(6-Bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-carbamoylindazol-5-yl]ethynyl]-5-fluoropyrimidin-4-yl]-2-chlorophenyl]pyrazin-2-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[2-(5-fluoropyrimidin-2-yl)ethynyl]indazole-3-carboxamide
CID 123708188
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[2-[3-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]-3-pyridinyl]methyl]-N-(6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
CID 146238504
1-[(1S,2S,5R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-(6-methyl-2-pyridinyl)ethanone;3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157131043
(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
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;3-propan-2-yl-1H-indol-5-amine;1-(1-propan-2-ylindol-3-yl)ethanone;1,3,5-tri(propan-2-yl)pyrazole
CID 157377824
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indole-3,5-dicarboxamide
CID 157788669
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-pentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide
CID 157952827
3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide;N-(2-carbamoyl-4-isocyano-6-methylphenyl)-3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide;N-(2-carbamoyl-4-isocyano-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide;3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 158342721
(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 158449632
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-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)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158597748
2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]ethanone;2-(2-fluoro-5-methylphenyl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-1-methylindole-6-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-5-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 158598684
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-N-(6-bromo-4-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-c]pyridin-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 158614332

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide (CID 157191175) is 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C#Cc3ncccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2ccc(Br)nc2)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(C)CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CCCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC[C@H](C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21.
What is the InChIKey of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is APSGFVSYYYWOLN-BEJLUSEBSA-N. The full InChI is InChI=1S/C33H30ClFN6O3.C30H27ClFN5O3.C27H26ClFN6O3.C26H26BrN7O3.C25H29ClFN5O3.C24H27ClFN5O3.C24H26ClFN4O3/c1-20(2)41(17-31(43)39-29-10-6-8-25(33(29)35)24-7-4-5-9-28(24)34)32(44)18-40-16-27(21(3)42)26-13-22(11-12-30(26)40)38-23-14-36-19-37-15-23;1-19(2)37(17-28(39)35-15-22-6-4-7-25(31)30(22)32)29(40)18-36-16-24(20(3)38)23-14-21(8-10-26(23)36)9-11-27-33-12-5-13-34-27;1-16(2)35(13-25(37)33-23-6-4-5-22(28)27(23)29)26(38)14-34-12-21(17(3)36)20-9-18(7-8-24(20)34)32-19-10-30-15-31-11-19;1-16(2)34(13-25(36)32-19-5-7-24(27)30-11-19)26(37)14-33-12-22(17(3)35)21-8-18(4-6-23(21)33)31-20-9-28-15-29-10-20;1-15(2)11-16(3)31(13-21(33)29-12-17-7-6-9-19(26)23(17)27)22(34)14-32-20-10-5-4-8-18(20)24(30-32)25(28)35;1-3-7-15(2)30(13-20(32)28-12-16-8-6-10-18(25)22(16)26)21(33)14-31-19-11-5-4-9-17(19)23(29-31)24(27)34;1-3-15(2)30(13-21(31)28-11-16-7-6-9-19(25)23(16)26)22(32)14-29-12-18(24(27)33)17-8-4-5-10-20(17)29/h4-16,19-20,38H,17-18H2,1-3H3,(H,39,43);4-8,10,12-14,16,19H,15,17-18H2,1-3H3,(H,35,39);4-12,15-16,32H,13-14H2,1-3H3,(H,33,37);4-12,15-16,31H,13-14H2,1-3H3,(H,32,36);4-10,15-16H,11-14H2,1-3H3,(H2,28,35)(H,29,33);4-6,8-11,15H,3,7,12-14H2,1-2H3,(H2,27,34)(H,28,32);4-10,12,15H,3,11,13-14H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;;;15-/m......0/s1.
What are the key properties of 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide?
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3737.46 g/mol, XLogP of 30.79, 65 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(6-bromo-3-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[(2S)-butan-2-yl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylpentan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-pentan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 157191175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).