3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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

C145H145Cl5F5N29O20 — CID 159269216

IUPAC3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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)c2cnc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C(=O)NCc3ccccc3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CN1CC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1
InChIInChI=1S/C31H29ClFN5O4.2C29H33ClFN7O4.C29H26ClFN4O5.C27H24ClFN6O3/c1-19(39)30-28-23(31(42)35-15-20-7-3-2-4-8-20)10-6-12-25(28)38(36-30)18-27(41)37(22-13-14-22)17-26(40)34-16-21-9-5-11-24(32)29(21)33;1-35-13-20(14-35)36(2)25(40)11-17-6-9-23-21(10-17)28(29(32)42)34-38(23)16-26(41)37(19-7-8-19)15-24(39)33-12-18-4-3-5-22(30)27(18)31;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;1-16(2)34(14-25(37)32-23-10-6-8-20(27(23)31)19-7-4-5-9-22(19)30)26(38)15-35-24-12-11-18(29(39)40)13-21(24)28(33-35)17(3)36;1-16(36)21-12-34(24-11-32-23(7-20(21)24)18-8-30-15-31-9-18)14-26(38)35(19-5-6-19)13-25(37)33-10-17-3-2-4-22(28)27(17)29/h2-12,22H,13-18H2,1H3,(H,34,40)(H,35,42);3-6,9-10,19-20H,7-8,11-16H2,1-2H3,(H2,32,42)(H,33,39);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);4-13,16H,14-15H2,1-3H3,(H,32,37)(H,39,40);2-4,7-9,11-12,15,19H,5-6,10,13-14H2,1H3,(H,33,37)/t;;17-;;/m..1../s1
InChIKeyKXMJEDJHJAGEDV-GYNAYGTNSA-N
MW2886.19 g/mol
LogP18.39
Rot. Bonds49

About 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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

3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 159269216) has the molecular formula C145H145Cl5F5N29O20 and a molecular weight of 2886.19 g/mol. Its IUPAC name is 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 Name3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 CID159269216
Molecular FormulaC145H145Cl5F5N29O20
Molecular Weight2886.19 g/mol
Exact Mass2881.96
IUPAC Name3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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)c2cnc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C(=O)NCc3ccccc3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CN1CC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1
InChIInChI=1S/C31H29ClFN5O4.2C29H33ClFN7O4.C29H26ClFN4O5.C27H24ClFN6O3/c1-19(39)30-28-23(31(42)35-15-20-7-3-2-4-8-20)10-6-12-25(28)38(36-30)18-27(41)37(22-13-14-22)17-26(40)34-16-21-9-5-11-24(32)29(21)33;1-35-13-20(14-35)36(2)25(40)11-17-6-9-23-21(10-17)28(29(32)42)34-38(23)16-26(41)37(19-7-8-19)15-24(39)33-12-18-4-3-5-22(30)27(18)31;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;1-16(2)34(14-25(37)32-23-10-6-8-20(27(23)31)19-7-4-5-9-22(19)30)26(38)15-35-24-12-11-18(29(39)40)13-21(24)28(33-35)17(3)36;1-16(36)21-12-34(24-11-32-23(7-20(21)24)18-8-30-15-31-9-18)14-26(38)35(19-5-6-19)13-25(37)33-10-17-3-2-4-22(28)27(17)29/h2-12,22H,13-18H2,1H3,(H,34,40)(H,35,42);3-6,9-10,19-20H,7-8,11-16H2,1-2H3,(H2,32,42)(H,33,39);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);4-13,16H,14-15H2,1-3H3,(H,32,37)(H,39,40);2-4,7-9,11-12,15,19H,5-6,10,13-14H2,1H3,(H,33,37)/t;;17-;;/m..1../s1
InChIKeyKXMJEDJHJAGEDV-GYNAYGTNSA-N
XLogP18.39
TPSA621.61 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds49
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002886.19
LogP ≤ 518.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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

CID 157559274
CID 157559274
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
CID 158163247
CID 158163247
CID 158178038
CID 158178038
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-2-aminoacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 158235256
1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;N,4-dimethyl-1-propan-2-ylbenzimidazole-2-carboxamide;1,6-dimethylpyrrolo[3,2-c]pyridine;1,5-di(propan-2-yl)pyrazole-3-carboxylic acid;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 159253748
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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoropiperidine-1-carboxamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-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]-cyclopropylamino]-2-oxoethyl]-5-[2-[methyl-[4-(methylamino)cyclohexyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[2-fluoro-3-(2-methylphenyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159910181
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
CID 160172935
CID 160172935
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;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-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]-5-(cyclohexylmethylamino)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 160485208
2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)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]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(formamidomethyl)indazole-3-carboxamide;N-[1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(1-hydroxyethyl)indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 160496440

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 159269216) is 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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)c2cnc(-c3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(C(=O)NCc3ccccc3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(C(=O)O)cc12.CN1CC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)C1.
What is the InChIKey of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 KXMJEDJHJAGEDV-GYNAYGTNSA-N. The full InChI is InChI=1S/C31H29ClFN5O4.2C29H33ClFN7O4.C29H26ClFN4O5.C27H24ClFN6O3/c1-19(39)30-28-23(31(42)35-15-20-7-3-2-4-8-20)10-6-12-25(28)38(36-30)18-27(41)37(22-13-14-22)17-26(40)34-16-21-9-5-11-24(32)29(21)33;1-35-13-20(14-35)36(2)25(40)11-17-6-9-23-21(10-17)28(29(32)42)34-38(23)16-26(41)37(19-7-8-19)15-24(39)33-12-18-4-3-5-22(30)27(18)31;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;1-16(2)34(14-25(37)32-23-10-6-8-20(27(23)31)19-7-4-5-9-22(19)30)26(38)15-35-24-12-11-18(29(39)40)13-21(24)28(33-35)17(3)36;1-16(36)21-12-34(24-11-32-23(7-20(21)24)18-8-30-15-31-9-18)14-26(38)35(19-5-6-19)13-25(37)33-10-17-3-2-4-22(28)27(17)29/h2-12,22H,13-18H2,1H3,(H,34,40)(H,35,42);3-6,9-10,19-20H,7-8,11-16H2,1-2H3,(H2,32,42)(H,33,39);2,5-7,10,12,17,20H,3-4,8-9,11,13-16H2,1H3,(H2,32,41)(H,33,39)(H,34,42);4-13,16H,14-15H2,1-3H3,(H,32,37)(H,39,40);2-4,7-9,11-12,15,19H,5-6,10,13-14H2,1H3,(H,33,37)/t;;17-;;/m..1../s1.
What are the key properties of 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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?
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 2886.19 g/mol, XLogP of 18.39, 49 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-4-carboxamide;3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-acetyl-5-pyrimidin-5-ylpyrrolo[2,3-c]pyridin-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]-5-[2-[methyl-(1-methylazetidin-3-yl)amino]-2-oxoethyl]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 159269216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).