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

C148H146Cl4F7N29O17 — CID 159910181

IUPACN-[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
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(-c3cncnc3)cc12.CNC1CCC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccccc12
InChIInChI=1S/C32H39ClFN7O4.C32H28ClFN6O3.C29H30ClF3N6O4.C28H26FN5O3.C27H23ClFN5O3/c1-36-21-7-9-22(10-8-21)39(2)28(43)15-19-6-13-26-24(14-19)31(32(35)45)38-41(26)18-29(44)40(23-11-12-23)17-27(42)37-16-20-4-3-5-25(33)30(20)34;1-19(2)39(16-29(42)37-27-10-6-8-24(31(27)34)23-7-4-5-9-26(23)33)30(43)17-40-28-12-11-21(22-14-35-18-36-15-22)13-25(28)32(38-40)20(3)41;1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-17-7-2-3-8-19(17)20-10-6-11-22(26(20)29)31-24(35)15-33(18-13-14-18)25(36)16-34-23-12-5-4-9-21(23)27(32-34)28(30)37;28-20-9-3-1-6-17(20)18-8-5-10-21(25(18)29)31-23(35)14-33(16-12-13-16)24(36)15-34-22-11-4-2-7-19(22)26(32-34)27(30)37/h3-6,13-14,21-23,36H,7-12,15-18H2,1-2H3,(H2,35,45)(H,37,42);4-15,18-19H,16-17H2,1-3H3,(H,37,42);2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);2-12,18H,13-16H2,1H3,(H2,30,37)(H,31,35);1-11,16H,12-15H2,(H2,30,37)(H,31,35)
InChIKeyNXBXQIBOEGDNCV-UHFFFAOYSA-N
MW2877.78 g/mol
LogP21.50
Rot. Bonds46

About 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

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 (PubChem CID 159910181) has the molecular formula C148H146Cl4F7N29O17 and a molecular weight of 2877.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159910181
Molecular FormulaC148H146Cl4F7N29O17
Molecular Weight2877.78 g/mol
Exact Mass2874.01
IUPAC NameN-[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
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(-c3cncnc3)cc12.CNC1CCC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccccc12
InChIInChI=1S/C32H39ClFN7O4.C32H28ClFN6O3.C29H30ClF3N6O4.C28H26FN5O3.C27H23ClFN5O3/c1-36-21-7-9-22(10-8-21)39(2)28(43)15-19-6-13-26-24(14-19)31(32(35)45)38-41(26)18-29(44)40(23-11-12-23)17-27(42)37-16-20-4-3-5-25(33)30(20)34;1-19(2)39(16-29(42)37-27-10-6-8-24(31(27)34)23-7-4-5-9-26(23)33)30(43)17-40-28-12-11-21(22-14-35-18-36-15-22)13-25(28)32(38-40)20(3)41;1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-17-7-2-3-8-19(17)20-10-6-11-22(26(20)29)31-24(35)15-33(18-13-14-18)25(36)16-34-23-12-5-4-9-21(23)27(32-34)28(30)37;28-20-9-3-1-6-17(20)18-8-5-10-21(25(18)29)31-23(35)14-33(16-12-13-16)24(36)15-34-22-11-4-2-7-19(22)26(32-34)27(30)37/h3-6,13-14,21-23,36H,7-12,15-18H2,1-2H3,(H2,35,45)(H,37,42);4-15,18-19H,16-17H2,1-3H3,(H,37,42);2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);2-12,18H,13-16H2,1H3,(H2,30,37)(H,31,35);1-11,16H,12-15H2,(H2,30,37)(H,31,35)
InChIKeyNXBXQIBOEGDNCV-UHFFFAOYSA-N
XLogP21.50
TPSA590.02 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002877.78
LogP ≤ 521.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

US9796741, cmp No. 163
CID 118323500
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(2''-chloro-2-fluorobiphenyl-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 118323561
US9796741, cmp No. 6
CID 118323568
US9796741, cmp No. 10
CID 118323740
US11084800, Cpd No. 38
CID 135317832
(2S,4R)-1-(2-(3-acetyl-5-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)-1H-indol-1-yl)acetyl)-N-(2''-chloro-2-fluorobiphenyl-3-yl)-4-fluoropyrrolidine-2-carboxamide
CID 138626725
US11084800, Cpd No. 39
CID 142420511
US11053253, Cmp No. T-222
CID 153306789
1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 123568244
1-[2-[2-[[3-(2-Chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-pyrrolidin-1-ylpyrimidin-5-yl)indazole-3-carboxamide
CID 123574218
1-[2-[(3S,5R)-3-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-pyrimidin-5-ylindazole-3-carboxamide
CID 126670544
(3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 134222530

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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cccc(NC(=O)N3CCCC(F)(F)C3)c12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C(C)C)c2ccc(-c3cncnc3)cc12.CNC1CCC(N(C)C(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.Cc1ccccc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is NXBXQIBOEGDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClFN7O4.C32H28ClFN6O3.C29H30ClF3N6O4.C28H26FN5O3.C27H23ClFN5O3/c1-36-21-7-9-22(10-8-21)39(2)28(43)15-19-6-13-26-24(14-19)31(32(35)45)38-41(26)18-29(44)40(23-11-12-23)17-27(42)37-16-20-4-3-5-25(33)30(20)34;1-19(2)39(16-29(42)37-27-10-6-8-24(31(27)34)23-7-4-5-9-26(23)33)30(43)17-40-28-12-11-21(22-14-35-18-36-15-22)13-25(28)32(38-40)20(3)41;1-17(40)27-25-21(35-28(43)37-12-4-11-29(32,33)16-37)7-3-8-22(25)39(36-27)15-24(42)38(19-9-10-19)14-23(41)34-13-18-5-2-6-20(30)26(18)31;1-17-7-2-3-8-19(17)20-10-6-11-22(26(20)29)31-24(35)15-33(18-13-14-18)25(36)16-34-23-12-5-4-9-21(23)27(32-34)28(30)37;28-20-9-3-1-6-17(20)18-8-5-10-21(25(18)29)31-23(35)14-33(16-12-13-16)24(36)15-34-22-11-4-2-7-19(22)26(32-34)27(30)37/h3-6,13-14,21-23,36H,7-12,15-18H2,1-2H3,(H2,35,45)(H,37,42);4-15,18-19H,16-17H2,1-3H3,(H,37,42);2-3,5-8,19H,4,9-16H2,1H3,(H,34,41)(H,35,43);2-12,18H,13-16H2,1H3,(H2,30,37)(H,31,35);1-11,16H,12-15H2,(H2,30,37)(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 2877.78 g/mol, XLogP of 21.50, 46 rotatable bonds, 10 hydrogen bond donors, and 30 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]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 is sourced from PubChem (CID 159910181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).