2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide

C138H150Cl5F7N26O18 — CID 162105792

IUPAC2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)C3CCCCC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CCN(CC)CCCC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CCC2)c2ccccc12
InChIInChI=1S/C31H38ClFN6O4.C31H34ClFN4O4.C29H30ClF3N6O4.C24H25ClFN5O3.C23H23ClFN5O3/c1-3-37(4-2)14-6-8-23(40)15-20-10-13-26-24(16-20)30(31(34)43)36-39(26)19-28(42)38(22-11-12-22)18-27(41)35-17-21-7-5-9-25(32)29(21)33;1-19(38)31-24-14-20(15-27(39)21-6-3-2-4-7-21)10-13-26(24)37(35-31)18-29(41)36(23-11-12-23)17-28(40)34-16-22-8-5-9-25(32)30(22)33;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;25-18-9-4-7-16(22(18)26)11-28-20(32)13-30(12-15-5-3-6-15)21(33)14-31-19-10-2-1-8-17(19)23(29-31)24(27)34;1-13(31)23-17-9-15(26)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(24)22(14)25/h5,7,9-10,13,16,22H,3-4,6,8,11-12,14-15,17-19H2,1-2H3,(H2,34,43)(H,35,41);5,8-10,13-14,21,23H,2-4,6-7,11-12,15-18H2,1H3,(H,34,40);2,4-6,9,12,20H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);1-2,4,7-10,15H,3,5-6,11-14H2,(H2,27,34)(H,28,32);2-5,8-9,16H,6-7,10-12,26H2,1H3,(H,27,32)
InChIKeyZFMKTLFZSGCPOO-UHFFFAOYSA-N
MW2771.13 g/mol
LogP18.90
Rot. Bonds53

About 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide

2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide (PubChem CID 162105792) has the molecular formula C138H150Cl5F7N26O18 and a molecular weight of 2771.13 g/mol. Its IUPAC name is 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide
PubChem CID162105792
Molecular FormulaC138H150Cl5F7N26O18
Molecular Weight2771.13 g/mol
Exact Mass2767.00
IUPAC Name2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)C3CCCCC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CCN(CC)CCCC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CCC2)c2ccccc12
InChIInChI=1S/C31H38ClFN6O4.C31H34ClFN4O4.C29H30ClF3N6O4.C24H25ClFN5O3.C23H23ClFN5O3/c1-3-37(4-2)14-6-8-23(40)15-20-10-13-26-24(16-20)30(31(34)43)36-39(26)19-28(42)38(22-11-12-22)18-27(41)35-17-21-7-5-9-25(32)29(21)33;1-19(38)31-24-14-20(15-27(39)21-6-3-2-4-7-21)10-13-26(24)37(35-31)18-29(41)36(23-11-12-23)17-28(40)34-16-22-8-5-9-25(32)30(22)33;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;25-18-9-4-7-16(22(18)26)11-28-20(32)13-30(12-15-5-3-6-15)21(33)14-31-19-10-2-1-8-17(19)23(29-31)24(27)34;1-13(31)23-17-9-15(26)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(24)22(14)25/h5,7,9-10,13,16,22H,3-4,6,8,11-12,14-15,17-19H2,1-2H3,(H2,34,43)(H,35,41);5,8-10,13-14,21,23H,2-4,6-7,11-12,15-18H2,1H3,(H,34,40);2,4-6,9,12,20H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);1-2,4,7-10,15H,3,5-6,11-14H2,(H2,27,34)(H,28,32);2-5,8-9,16H,6-7,10-12,26H2,1H3,(H,27,32)
InChIKeyZFMKTLFZSGCPOO-UHFFFAOYSA-N
XLogP18.90
TPSA569.28 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds53
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.13
LogP ≤ 518.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11447465, Cmp No. T-67
CID 147587329
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carbonyl azide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropiperidine;methane;hydrochloride
CID 157228650
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 157358285
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carbonyl azide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropyrrolidine;methane
CID 157503210
bis(2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide);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-methylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;[azido(methyl)phosphoryl]methane;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3,5-diacetylindazol-1-yl)-N-propan-2-ylacetamide;bis(N,N-diethylethanamine);3,3-dimethylbutanoic acid;2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 157610563
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-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157653492
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
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 158003584
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(1-phenylethyl)indazole-5-carboxamide;N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 158381709
CID 158646608
CID 158646608
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carbonyl azide;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;1,1-difluorocyclohexane;methane
CID 158974610
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carbonyl azide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 159130468

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide?
The IUPAC name of 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide (CID 162105792) is 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide.
What is the SMILES notation for 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide?
The canonical SMILES for 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)C3CCCCC3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(N)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12.CCN(CC)CCCC(=O)Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CCC2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide?
The InChIKey is ZFMKTLFZSGCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClFN6O4.C31H34ClFN4O4.C29H30ClF3N6O4.C24H25ClFN5O3.C23H23ClFN5O3/c1-3-37(4-2)14-6-8-23(40)15-20-10-13-26-24(16-20)30(31(34)43)36-39(26)19-28(42)38(22-11-12-22)18-27(41)35-17-21-7-5-9-25(32)29(21)33;1-19(38)31-24-14-20(15-27(39)21-6-3-2-4-7-21)10-13-26(24)37(35-31)18-29(41)36(23-11-12-23)17-28(40)34-16-22-8-5-9-25(32)30(22)33;1-17(40)27-21-12-19(35-28(43)37-11-3-10-29(32,33)16-37)6-9-23(21)39(36-27)15-25(42)38(20-7-8-20)14-24(41)34-13-18-4-2-5-22(30)26(18)31;25-18-9-4-7-16(22(18)26)11-28-20(32)13-30(12-15-5-3-6-15)21(33)14-31-19-10-2-1-8-17(19)23(29-31)24(27)34;1-13(31)23-17-9-15(26)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-14-3-2-4-18(24)22(14)25/h5,7,9-10,13,16,22H,3-4,6,8,11-12,14-15,17-19H2,1-2H3,(H2,34,43)(H,35,41);5,8-10,13-14,21,23H,2-4,6-7,11-12,15-18H2,1H3,(H,34,40);2,4-6,9,12,20H,3,7-8,10-11,13-16H2,1H3,(H,34,41)(H,35,43);1-2,4,7-10,15H,3,5-6,11-14H2,(H2,27,34)(H,28,32);2-5,8-9,16H,6-7,10-12,26H2,1H3,(H,27,32).
What are the key properties of 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide?
2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide has a molecular weight of 2771.13 g/mol, XLogP of 18.90, 53 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;2-[3-acetyl-5-(2-cyclohexyl-2-oxoethyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[5-(diethylamino)-2-oxopentyl]indazole-3-carboxamide is sourced from PubChem (CID 162105792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).