1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C24H26FN5O3 — CID 167491226

IUPAC1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCc1cccc(CNC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CCC2)c1F
InChIInChI=1S/C24H26FN5O3/c1-15-6-4-7-16(22(15)25)12-27-20(31)13-29(17-8-5-9-17)21(32)14-30-19-11-3-2-10-18(19)23(28-30)24(26)33/h2-4,6-7,10-11,17H,5,8-9,12-14H2,1H3,(H2,26,33)(H,27,31)
InChIKeyZCXAPEYZTMULHR-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.28
Rot. Bonds8

About 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 167491226) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID167491226
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCc1cccc(CNC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CCC2)c1F
InChIInChI=1S/C24H26FN5O3/c1-15-6-4-7-16(22(15)25)12-27-20(31)13-29(17-8-5-9-17)21(32)14-30-19-11-3-2-10-18(19)23(28-30)24(26)33/h2-4,6-7,10-11,17H,5,8-9,12-14H2,1H3,(H2,26,33)(H,27,31)
InChIKeyZCXAPEYZTMULHR-UHFFFAOYSA-N
XLogP2.28
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3R)-piperidin-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299961
1-[2-[[2-[(3-chloro-2-methylphenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 134192296
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-4-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300094
7-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 139507748
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(methylamino)indazole-3-carboxamide
CID 130323110
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299832
N-[3-acetyl-1-[2-[cyclopropyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazol-5-yl]-2-cyclopropylacetamide
CID 170074528
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300226
1-[2-[cyclopropyl-[2-[(2,3-difluorophenyl)methylamino]-2-oxoethyl]amino]ethyl]indazole-3-carboxamide
CID 139523427
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide
CID 130325085
1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 167491226) is 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is Cc1cccc(CNC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CCC2)c1F.
What is the InChIKey of 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is ZCXAPEYZTMULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-15-6-4-7-16(22(15)25)12-27-20(31)13-29(17-8-5-9-17)21(32)14-30-19-11-3-2-10-18(19)23(28-30)24(26)33/h2-4,6-7,10-11,17H,5,8-9,12-14H2,1H3,(H2,26,33)(H,27,31).
What are the key properties of 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl-[2-[(2-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 167491226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).