N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide

C152H155Cl6F6N35O23 — CID 161402512

IUPACN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)c3cccc(N)c3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N3CCCCC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(O)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)N[C@H](CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12
InChIInChI=1S/C31H29ClFN5O4.C28H32ClFN6O4.C27H28ClFN6O4.C23H24ClFN6O4.C22H21ClFN5O4.C21H21ClFN7O3/c1-18(39)25-15-37(27-11-8-22(13-24(25)27)36-31(42)19-4-2-6-21(34)12-19)17-29(41)38(23-9-10-23)16-28(40)35-14-20-5-3-7-26(32)30(20)33;1-17(2)35(15-23(37)32-14-19-7-6-8-21(29)25(19)30)24(38)16-36-22-10-9-18(13-20(22)26(33-36)27(31)39)28(40)34-11-4-3-5-12-34;28-20-3-1-2-16(25(20)29)12-31-23(37)13-34(18-7-8-18)24(38)14-35-21-9-6-17(32-22(36)10-15-4-5-15)11-19(21)26(33-35)27(30)39;24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35;23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-8-14(30)6-7-15(17)21(27-29)22(25)33;22-15-3-1-2-11(18(15)23)7-26-16(31)9-29(13-4-5-13)17(32)10-30-21-14(6-12(24)8-27-21)19(28-30)20(25)33/h2-8,11-13,15,23H,9-10,14,16-17,34H2,1H3,(H,35,40)(H,36,42);6-10,13,17H,3-5,11-12,14-16H2,1-2H3,(H2,31,39)(H,32,37);1-3,6,9,11,15,18H,4-5,7-8,10,12-14H2,(H2,30,39)(H,31,37)(H,32,36);1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33);1-3,6-8,13,30H,4-5,9-11H2,(H2,25,33)(H,26,31);1-3,6,8,13H,4-5,7,9-10,24H2,(H2,25,33)(H,26,31)/t;;;17-;;/m...1../s1
InChIKeyVUKNHAMTNUJQTL-NIXFMSLKSA-N
MW3166.84 g/mol
LogP15.36
Rot. Bonds55

About N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide

N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide (PubChem CID 161402512) has the molecular formula C152H155Cl6F6N35O23 and a molecular weight of 3166.84 g/mol. Its IUPAC name is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide
PubChem CID161402512
Molecular FormulaC152H155Cl6F6N35O23
Molecular Weight3166.84 g/mol
Exact Mass3162.01
IUPAC NameN-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)c3cccc(N)c3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N3CCCCC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(O)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)N[C@H](CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12
InChIInChI=1S/C31H29ClFN5O4.C28H32ClFN6O4.C27H28ClFN6O4.C23H24ClFN6O4.C22H21ClFN5O4.C21H21ClFN7O3/c1-18(39)25-15-37(27-11-8-22(13-24(25)27)36-31(42)19-4-2-6-21(34)12-19)17-29(41)38(23-9-10-23)16-28(40)35-14-20-5-3-7-26(32)30(20)33;1-17(2)35(15-23(37)32-14-19-7-6-8-21(29)25(19)30)24(38)16-36-22-10-9-18(13-20(22)26(33-36)27(31)39)28(40)34-11-4-3-5-12-34;28-20-3-1-2-16(25(20)29)12-31-23(37)13-34(18-7-8-18)24(38)14-35-21-9-6-17(32-22(36)10-15-4-5-15)11-19(21)26(33-35)27(30)39;24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35;23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-8-14(30)6-7-15(17)21(27-29)22(25)33;22-15-3-1-2-11(18(15)23)7-26-16(31)9-29(13-4-5-13)17(32)10-30-21-14(6-12(24)8-27-21)19(28-30)20(25)33/h2-8,11-13,15,23H,9-10,14,16-17,34H2,1H3,(H,35,40)(H,36,42);6-10,13,17H,3-5,11-12,14-16H2,1-2H3,(H2,31,39)(H,32,37);1-3,6,9,11,15,18H,4-5,7-8,10,12-14H2,(H2,30,39)(H,31,37)(H,32,36);1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33);1-3,6-8,13,30H,4-5,9-11H2,(H2,25,33)(H,26,31);1-3,6,8,13H,4-5,7,9-10,24H2,(H2,25,33)(H,26,31)/t;;;17-;;/m...1../s1
InChIKeyVUKNHAMTNUJQTL-NIXFMSLKSA-N
XLogP15.36
TPSA832.93 Ų
H-Bond Donors18
H-Bond Acceptors38
Rotatable Bonds55
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003166.84
LogP ≤ 515.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide with MolForge

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Related Compounds

CID 157559274
CID 157559274
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;5-(benzylcarbamoylamino)-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-pyrimidin-5-ylindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[3-(hydroxymethyl)cyclobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpiperazine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide
CID 157885001
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
CID 158163247
CID 158163247
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
6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindol-6-ol;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 158439513
3-[2-[(1S)-1-[[2-[6-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-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-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxyindazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158466458
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-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 159540138
6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;5,6-dimethyl-2-propan-2-ylindazole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[2,5-di(propan-2-yl)-1H-pyrazol-2-ium-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindol-6-ol;2-propan-2-ylpyridine;1-propan-2-yl-6-(trifluoromethyl)indole
CID 159820368
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
CID 159840368
N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[3-(1-methylpiperidin-4-yl)-2-oxopropyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159940842

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide?
The IUPAC name of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide (CID 161402512) is N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide.
What is the SMILES notation for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide?
The canonical SMILES for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)c3cccc(N)c3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N3CCCCC3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(O)ccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ncc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)N[C@H](CO)c2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.
What is the InChIKey of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide?
The InChIKey is VUKNHAMTNUJQTL-NIXFMSLKSA-N. The full InChI is InChI=1S/C31H29ClFN5O4.C28H32ClFN6O4.C27H28ClFN6O4.C23H24ClFN6O4.C22H21ClFN5O4.C21H21ClFN7O3/c1-18(39)25-15-37(27-11-8-22(13-24(25)27)36-31(42)19-4-2-6-21(34)12-19)17-29(41)38(23-9-10-23)16-28(40)35-14-20-5-3-7-26(32)30(20)33;1-17(2)35(15-23(37)32-14-19-7-6-8-21(29)25(19)30)24(38)16-36-22-10-9-18(13-20(22)26(33-36)27(31)39)28(40)34-11-4-3-5-12-34;28-20-3-1-2-16(25(20)29)12-31-23(37)13-34(18-7-8-18)24(38)14-35-21-9-6-17(32-22(36)10-15-4-5-15)11-19(21)26(33-35)27(30)39;24-16-3-1-2-14(21(16)25)17(11-32)28-19(33)9-30(13-5-6-13)20(34)10-31-18-7-4-12(26)8-15(18)22(29-31)23(27)35;23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-8-14(30)6-7-15(17)21(27-29)22(25)33;22-15-3-1-2-11(18(15)23)7-26-16(31)9-29(13-4-5-13)17(32)10-30-21-14(6-12(24)8-27-21)19(28-30)20(25)33/h2-8,11-13,15,23H,9-10,14,16-17,34H2,1H3,(H,35,40)(H,36,42);6-10,13,17H,3-5,11-12,14-16H2,1-2H3,(H2,31,39)(H,32,37);1-3,6,9,11,15,18H,4-5,7-8,10,12-14H2,(H2,30,39)(H,31,37)(H,32,36);1-4,7-8,13,17,32H,5-6,9-11,26H2,(H2,27,35)(H,28,33);1-3,6-8,13,30H,4-5,9-11H2,(H2,25,33)(H,26,31);1-3,6,8,13H,4-5,7,9-10,24H2,(H2,25,33)(H,26,31)/t;;;17-;;/m...1../s1.
What are the key properties of N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide?
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide has a molecular weight of 3166.84 g/mol, XLogP of 15.36, 55 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide is sourced from PubChem (CID 161402512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).