2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide

C144H157Cl5F5N23O20 — CID 158422789

IUPAC2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C31H35ClFN3O4.C30H36ClFN4O4.C30H31ClFN3O4.C29H33ClFN7O4.C24H22ClFN6O4/c1-19(37)25-16-35(27-11-8-20(13-24(25)27)12-23(38)14-31(2,3)4)18-29(40)36(22-9-10-22)17-28(39)34-15-21-6-5-7-26(32)30(21)33;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32;1-17-4-3-11-36(14-17)29(42)34-19-7-10-23-21(12-19)27(28(32)41)35-38(23)16-25(40)37(20-8-9-20)15-24(39)33-13-18-5-2-6-22(30)26(18)31;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26/h5-8,11,13,16,22H,9-10,12,14-15,17-18H2,1-4H3,(H,34,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33)/t;;;17-;/m...1./s1
InChIKeyHARODBYGPUEMII-SBKCZVGZSA-N
MW2802.24 g/mol
LogP21.47
Rot. Bonds53

About 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide

2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide (PubChem CID 158422789) has the molecular formula C144H157Cl5F5N23O20 and a molecular weight of 2802.24 g/mol. Its IUPAC name is 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide
PubChem CID158422789
Molecular FormulaC144H157Cl5F5N23O20
Molecular Weight2802.24 g/mol
Exact Mass2798.03
IUPAC Name2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1
InChIInChI=1S/C31H35ClFN3O4.C30H36ClFN4O4.C30H31ClFN3O4.C29H33ClFN7O4.C24H22ClFN6O4/c1-19(37)25-16-35(27-11-8-20(13-24(25)27)12-23(38)14-31(2,3)4)18-29(40)36(22-9-10-22)17-28(39)34-15-21-6-5-7-26(32)30(21)33;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32;1-17-4-3-11-36(14-17)29(42)34-19-7-10-23-21(12-19)27(28(32)41)35-38(23)16-25(40)37(20-8-9-20)15-24(39)33-13-18-5-2-6-22(30)26(18)31;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26/h5-8,11,13,16,22H,9-10,12,14-15,17-18H2,1-4H3,(H,34,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33)/t;;;17-;/m...1./s1
InChIKeyHARODBYGPUEMII-SBKCZVGZSA-N
XLogP21.47
TPSA544.90 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds53
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002802.24
LogP ≤ 521.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 157894412
2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 158230689
5-chloro-N-[1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 158287762
5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 158657340
(2S,4R)-1-[2-[3-acetyl-6-(2-cyclopropylethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(cyclopropylmethoxy)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 158749268
(1R,22R,25S)-16-acetyl-N-[3-(2-chloro-4,5-difluorophenyl)-2-fluorophenyl]-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-(6-cyano-3-methyl-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(5-methylpyrazin-2-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 159038997
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpiperidine-1-carboxamide;N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpyrrolidine-1-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(cyclopropylcarbamoylamino)indol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-2-ylmethylcarbamoylamino)indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;methane
CID 159449986
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 159852247
5-chloro-N-[1-(4-chlorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161882862
N-[2-[4-[[4-[[4-[4-[[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]carbamoyl]-3-(3,6-difluoro-2-methylphenyl)-1-methylpyrrole-2-carbonyl]phenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171540517
N-[2-[4-[[4-[[4-[4-[[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]carbamoyl]-3-(3,6-difluoro-2-methylphenyl)-1-methylpyrrole-2-carbonyl]phenyl]methyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176027636
2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-[[(3R)-3-aminopiperidine-1-carbonyl]amino]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethenyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157747694

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide (CID 158422789) is 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC(C)(C)C)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)CC(C)(C)C)cc12.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.[C-]#[N+]COc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.
What is the InChIKey of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide?
The InChIKey is HARODBYGPUEMII-SBKCZVGZSA-N. The full InChI is InChI=1S/C31H35ClFN3O4.C30H36ClFN4O4.C30H31ClFN3O4.C29H33ClFN7O4.C24H22ClFN6O4/c1-19(37)25-16-35(27-11-8-20(13-24(25)27)12-23(38)14-31(2,3)4)18-29(40)36(22-9-10-22)17-28(39)34-15-21-6-5-7-26(32)30(21)33;1-18(2)35(16-26(39)33-15-21-8-7-9-24(31)28(21)32)27(40)17-36-25-11-10-20(12-22(38)14-30(4,5)6)13-23(25)29(34-36)19(3)37;1-18(36)25-15-34(27-10-7-20(13-24(25)27)12-23(37)11-19-5-6-19)17-29(39)35(22-8-9-22)16-28(38)33-14-21-3-2-4-26(31)30(21)32;1-17-4-3-11-36(14-17)29(42)34-19-7-10-23-21(12-19)27(28(32)41)35-38(23)16-25(40)37(20-8-9-20)15-24(39)33-13-18-5-2-6-22(30)26(18)31;1-28-13-36-16-7-8-17-19(9-16)32(30-23(17)24(27)35)12-21(34)31(15-5-6-15)11-20(33)29-10-14-3-2-4-18(25)22(14)26/h5-8,11,13,16,22H,9-10,12,14-15,17-18H2,1-4H3,(H,34,39);7-11,13,18H,12,14-17H2,1-6H3,(H,33,39);2-4,7,10,13,15,19,22H,5-6,8-9,11-12,14,16-17H2,1H3,(H,33,38);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);2-4,7-9,15H,5-6,10-13H2,(H2,27,35)(H,29,33)/t;;;17-;/m...1./s1.
What are the key properties of 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide?
2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide has a molecular weight of 2802.24 g/mol, XLogP of 21.47, 53 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide is sourced from PubChem (CID 158422789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).