6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide

C117H121Cl5F5N29O20 — CID 159101630

IUPAC6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide
SMILESCC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.C[C@H](CO)N(CC(=O)N[C@@H](CCO)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(CO)ccc12
InChIInChI=1S/C24H28ClFN6O5.C24H23ClFN5O4.C23H25ClFN7O3.C23H22ClFN6O4.C23H23ClFN5O4/c1-13(12-34)31(10-20(35)29-18(7-8-33)15-3-2-4-17(25)22(15)26)21(36)11-32-19-6-5-14(27)9-16(19)23(30-32)24(28)37;1-13(32)14-5-8-17-19(9-14)31(29-23(17)24(27)35)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;24-17-3-1-2-12(21(17)25)9-29-19(33)10-31(15-6-14(27)7-15)20(34)11-32-18-5-4-13(26)8-16(18)22(30-32)23(28)35;24-16-3-1-2-13(20(16)25)9-28-18(32)10-30(14-5-6-14)19(33)11-31-17-8-12(22(26)34)4-7-15(17)21(29-31)23(27)35;24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-8-13(12-31)4-7-16(18)22(28-30)23(26)34/h2-6,9,13,18,33-34H,7-8,10-12,27H2,1H3,(H2,28,37)(H,29,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);1-5,8,14-15H,6-7,9-11,26-27H2,(H2,28,35)(H,29,33);1-4,7-8,14H,5-6,9-11H2,(H2,26,34)(H2,27,35)(H,28,32);1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32)/t13-,18+;;;;/m1..../s1
InChIKeyKDIYRPYELDGSRM-UZTFKOQESA-N
MW2525.69 g/mol
LogP7.60
Rot. Bonds46

About 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide

6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide (PubChem CID 159101630) has the molecular formula C117H121Cl5F5N29O20 and a molecular weight of 2525.69 g/mol. Its IUPAC name is 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide.

Molecular Properties

Compound Name6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide
PubChem CID159101630
Molecular FormulaC117H121Cl5F5N29O20
Molecular Weight2525.69 g/mol
Exact Mass2521.77
IUPAC Name6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide
SMILESCC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.C[C@H](CO)N(CC(=O)N[C@@H](CCO)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(CO)ccc12
InChIInChI=1S/C24H28ClFN6O5.C24H23ClFN5O4.C23H25ClFN7O3.C23H22ClFN6O4.C23H23ClFN5O4/c1-13(12-34)31(10-20(35)29-18(7-8-33)15-3-2-4-17(25)22(15)26)21(36)11-32-19-6-5-14(27)9-16(19)23(30-32)24(28)37;1-13(32)14-5-8-17-19(9-14)31(29-23(17)24(27)35)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;24-17-3-1-2-12(21(17)25)9-29-19(33)10-31(15-6-14(27)7-15)20(34)11-32-18-5-4-13(26)8-16(18)22(30-32)23(28)35;24-16-3-1-2-13(20(16)25)9-28-18(32)10-30(14-5-6-14)19(33)11-31-17-8-12(22(26)34)4-7-15(17)21(29-31)23(27)35;24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-8-13(12-31)4-7-16(18)22(28-30)23(26)34/h2-6,9,13,18,33-34H,7-8,10-12,27H2,1H3,(H2,28,37)(H,29,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);1-5,8,14-15H,6-7,9-11,26-27H2,(H2,28,35)(H,29,33);1-4,7-8,14H,5-6,9-11H2,(H2,26,34)(H2,27,35)(H,28,32);1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32)/t13-,18+;;;;/m1..../s1
InChIKeyKDIYRPYELDGSRM-UZTFKOQESA-N
XLogP7.60
TPSA750.51 Ų
H-Bond Donors17
H-Bond Acceptors33
Rotatable Bonds46
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002525.69
LogP ≤ 57.60
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide with MolForge

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Related Compounds

6-[3-[[[(2S)-2-[[2-[3-[amino(hydroxy)methyl]indazol-1-yl]acetyl]amino]-3-hydroxypropanoyl]amino]methyl]-5-chloro-4-fluorophenyl]-1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-3-cyclopropyl-1-oxopropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 138636273
4-[3-[[[2-[[2-[3-Carbamoyl-6-(hydroxymethyl)indazol-1-yl]acetyl]-cyclopropylamino]acetyl]amino]methyl]-5-chloro-4-fluorophenyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-cyanoindazole-3-carboxamide
CID 138636522
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-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
2-(3-acetyl-5-aminoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carbonyl azide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;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;bis(N,N-diethylethanamine);3,3-dimethylbutanoic acid;2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 158942879
CID 159369235
CID 159369235
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-4-yl]-3,3-difluoroazetidine-1-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 161698911
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
[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde
CID 162262930
N-[3-[[[2-[[2-[3-acetyl-5-[[(3-aminophenyl)-hydroxymethyl]amino]indol-1-yl]acetyl]-cyclopropylamino]acetyl]amino]methyl]-5-chloro-4-fluorophenyl]-5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 169573800
azane;bromo(trimethyl)silane;[3-carbamoyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-6-yl]phosphonic acid;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxamide;1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindazole-3-carboxylic acid;hydrochloride
CID 157268044

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide?
The IUPAC name of 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide (CID 159101630) is 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide.
What is the SMILES notation for 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide?
The canonical SMILES for 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide is CC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.C[C@H](CO)N(CC(=O)N[C@@H](CCO)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(N)ccc21.NC(=O)c1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(N)C2)c2ccc(N)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(CO)ccc12.
What is the InChIKey of 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide?
The InChIKey is KDIYRPYELDGSRM-UZTFKOQESA-N. The full InChI is InChI=1S/C24H28ClFN6O5.C24H23ClFN5O4.C23H25ClFN7O3.C23H22ClFN6O4.C23H23ClFN5O4/c1-13(12-34)31(10-20(35)29-18(7-8-33)15-3-2-4-17(25)22(15)26)21(36)11-32-19-6-5-14(27)9-16(19)23(30-32)24(28)37;1-13(32)14-5-8-17-19(9-14)31(29-23(17)24(27)35)12-21(34)30(16-6-7-16)11-20(33)28-10-15-3-2-4-18(25)22(15)26;24-17-3-1-2-12(21(17)25)9-29-19(33)10-31(15-6-14(27)7-15)20(34)11-32-18-5-4-13(26)8-16(18)22(30-32)23(28)35;24-16-3-1-2-13(20(16)25)9-28-18(32)10-30(14-5-6-14)19(33)11-31-17-8-12(22(26)34)4-7-15(17)21(29-31)23(27)35;24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-8-13(12-31)4-7-16(18)22(28-30)23(26)34/h2-6,9,13,18,33-34H,7-8,10-12,27H2,1H3,(H2,28,37)(H,29,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H2,27,35)(H,28,33);1-5,8,14-15H,6-7,9-11,26-27H2,(H2,28,35)(H,29,33);1-4,7-8,14H,5-6,9-11H2,(H2,26,34)(H2,27,35)(H,28,32);1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32)/t13-,18+;;;;/m1..../s1.
What are the key properties of 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide?
6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide has a molecular weight of 2525.69 g/mol, XLogP of 7.60, 46 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide is sourced from PubChem (CID 159101630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).