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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

C111H111Cl3F7N27O18 — CID 158741509

IUPAC1-[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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C22H21ClFN5O5.C22H20F3N5O4.C22H25N7O3.C21H20ClF2N5O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);1-7H,8-12H2,(H2,25,32)(H,26,30)
InChIKeyIMIWLRQVPFKKPL-UHFFFAOYSA-N
MW2350.62 g/mol
LogP10.19
Rot. Bonds42

About 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate (PubChem CID 158741509) has the molecular formula C111H111Cl3F7N27O18 and a molecular weight of 2350.62 g/mol. Its IUPAC name is 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name1-[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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
PubChem CID158741509
Molecular FormulaC111H111Cl3F7N27O18
Molecular Weight2350.62 g/mol
Exact Mass2347.76
IUPAC Name1-[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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C22H21ClFN5O5.C22H20F3N5O4.C22H25N7O3.C21H20ClF2N5O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);1-7H,8-12H2,(H2,25,32)(H,26,30)
InChIKeyIMIWLRQVPFKKPL-UHFFFAOYSA-N
XLogP10.19
TPSA603.26 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002350.62
LogP ≤ 510.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-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 157392529
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
(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
1-[2-[Tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157200661
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
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-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-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159882621

Frequently Asked Questions

What is the IUPAC name of 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The IUPAC name of 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate (CID 158741509) is 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The canonical SMILES for 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The InChIKey is IMIWLRQVPFKKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O3.C22H21ClFN5O5.C22H20F3N5O4.C22H25N7O3.C21H20ClF2N5O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);1-7H,8-12H2,(H2,25,32)(H,26,30).
What are the key properties of 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate has a molecular weight of 2350.62 g/mol, XLogP of 10.19, 42 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 158741509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).