1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide

C109H107Cl4F6N27O16 — CID 157390680

IUPAC1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3cncnc3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)Nc3ccncc3)cc12
InChIInChI=1S/C28H26ClFN8O4.C28H29ClFN5O4.C27H27ClF3N7O4.C26H25ClFN7O4/c29-21-3-1-2-16(25(21)30)13-33-23(39)14-37(19-5-6-19)24(40)15-38-22-7-4-18(12-20(22)26(36-38)27(31)41)35-28(42)34-17-8-10-32-11-9-17;29-22-3-1-2-18(26(22)30)13-32-24(37)14-34(19-7-8-19)25(38)15-35-23-9-6-17(11-20(36)10-16-4-5-16)12-21(23)27(33-35)28(31)39;28-19-3-1-2-15(23(19)29)11-33-21(39)12-37(17-5-6-17)22(40)13-38-20-7-4-16(10-18(20)24(35-38)25(32)41)34-26(42)36-9-8-27(30,31)14-36;1-15(2)34(12-22(36)32-9-16-4-3-5-20(27)24(16)28)23(37)13-35-21-7-6-17(39-18-10-30-14-31-11-18)8-19(21)25(33-35)26(29)38/h1-4,7-12,19H,5-6,13-15H2,(H2,31,41)(H,33,39)(H2,32,34,35,42);1-3,6,9,12,16,19H,4-5,7-8,10-11,13-15H2,(H2,31,39)(H,32,37);1-4,7,10,17H,5-6,8-9,11-14H2,(H2,32,41)(H,33,39)(H,34,42);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,29,38)(H,32,36)
InChIKeyBLYSEMJTWCZTQX-UHFFFAOYSA-N
MW2307.03 g/mol
LogP12.59
Rot. Bonds41

About 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide (PubChem CID 157390680) has the molecular formula C109H107Cl4F6N27O16 and a molecular weight of 2307.03 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide
PubChem CID157390680
Molecular FormulaC109H107Cl4F6N27O16
Molecular Weight2307.03 g/mol
Exact Mass2303.70
IUPAC Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3cncnc3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)Nc3ccncc3)cc12
InChIInChI=1S/C28H26ClFN8O4.C28H29ClFN5O4.C27H27ClF3N7O4.C26H25ClFN7O4/c29-21-3-1-2-16(25(21)30)13-33-23(39)14-37(19-5-6-19)24(40)15-38-22-7-4-18(12-20(22)26(36-38)27(31)41)35-28(42)34-17-8-10-32-11-9-17;29-22-3-1-2-18(26(22)30)13-32-24(37)14-34(19-7-8-19)25(38)15-35-23-9-6-17(11-20(36)10-16-4-5-16)12-21(23)27(33-35)28(31)39;28-19-3-1-2-15(23(19)29)11-33-21(39)12-37(17-5-6-17)22(40)13-38-20-7-4-16(10-18(20)24(35-38)25(32)41)34-26(42)36-9-8-27(30,31)14-36;1-15(2)34(12-22(36)32-9-16-4-3-5-20(27)24(16)28)23(37)13-35-21-7-6-17(39-18-10-30-14-31-11-18)8-19(21)25(33-35)26(29)38/h1-4,7-12,19H,5-6,13-15H2,(H2,31,41)(H,33,39)(H2,32,34,35,42);1-3,6,9,12,16,19H,4-5,7-8,10-11,13-15H2,(H2,31,39)(H,32,37);1-4,7,10,17H,5-6,8-9,11-14H2,(H2,32,41)(H,33,39)(H,34,42);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,29,38)(H,32,36)
InChIKeyBLYSEMJTWCZTQX-UHFFFAOYSA-N
XLogP12.59
TPSA579.72 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002307.03
LogP ≤ 512.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide with MolForge

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Related Compounds

1-(2-((2S,4R)-2-(2''-chloro-2-fluorobiphenyl-3-ylcarbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-5-(pyrimidin-5-yloxy)-1H-indazole-3-carboxamide
CID 118324867
1-[2-[2-[[3-(2-Chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide
CID 123507223
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 157116305
CID 157832076
CID 157832076
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
2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde
CID 158416182
CID 158663701
CID 158663701
2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2,2-difluorocyclohexyl)ethanone;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluorocyclohex-2-en-1-yl)ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluorocyclohex-2-en-1-yl)ethanone;hydrochloride
CID 159511659
5-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;1-(2-oxopropyl)-5-pyrimidin-5-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde
CID 160233134
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 160520412
dicesium;2-[3-carbamoyl-5-[(4-methylpyrimidin-2-yl)methoxy]indazol-1-yl]acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;2-(chloromethyl)-4-methylpyrimidine;hydride;1-(5-hydroxy-3-isocyanoindazol-1-yl)propan-2-one;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;5-[(4-methylpyrimidin-2-yl)methoxy]-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;2,2,2-trifluoroacetaldehyde
CID 160844697
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide
CID 158703999

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide (CID 157390680) is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide is CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3cncnc3)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CC(=O)CC3CC3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NC(=O)Nc3ccncc3)cc12.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide?
The InChIKey is BLYSEMJTWCZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN8O4.C28H29ClFN5O4.C27H27ClF3N7O4.C26H25ClFN7O4/c29-21-3-1-2-16(25(21)30)13-33-23(39)14-37(19-5-6-19)24(40)15-38-22-7-4-18(12-20(22)26(36-38)27(31)41)35-28(42)34-17-8-10-32-11-9-17;29-22-3-1-2-18(26(22)30)13-32-24(37)14-34(19-7-8-19)25(38)15-35-23-9-6-17(11-20(36)10-16-4-5-16)12-21(23)27(33-35)28(31)39;28-19-3-1-2-15(23(19)29)11-33-21(39)12-37(17-5-6-17)22(40)13-38-20-7-4-16(10-18(20)24(35-38)25(32)41)34-26(42)36-9-8-27(30,31)14-36;1-15(2)34(12-22(36)32-9-16-4-3-5-20(27)24(16)28)23(37)13-35-21-7-6-17(39-18-10-30-14-31-11-18)8-19(21)25(33-35)26(29)38/h1-4,7-12,19H,5-6,13-15H2,(H2,31,41)(H,33,39)(H2,32,34,35,42);1-3,6,9,12,16,19H,4-5,7-8,10-11,13-15H2,(H2,31,39)(H,32,37);1-4,7,10,17H,5-6,8-9,11-14H2,(H2,32,41)(H,33,39)(H,34,42);3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,29,38)(H,32,36).
What are the key properties of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide?
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide has a molecular weight of 2307.03 g/mol, XLogP of 12.59, 41 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide is sourced from PubChem (CID 157390680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).