3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide

C24H22N4O2 — CID 11280967

IUPAC3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(CNC(=O)CCc4ccccc4)c3)c2c1
InChIInChI=1S/C24H22N4O2/c25-24(30)19-10-11-21-20(14-19)23(28-27-21)18-8-4-7-17(13-18)15-26-22(29)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14H,9,12,15H2,(H2,25,30)(H,26,29)(H,27,28)
InChIKeyFIXHCLCHFVOSMR-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.58
Rot. Bonds7

About 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide

3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide (PubChem CID 11280967) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
PubChem CID11280967
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(CNC(=O)CCc4ccccc4)c3)c2c1
InChIInChI=1S/C24H22N4O2/c25-24(30)19-10-11-21-20(14-19)23(28-27-21)18-8-4-7-17(13-18)15-26-22(29)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14H,9,12,15H2,(H2,25,30)(H,26,29)(H,27,28)
InChIKeyFIXHCLCHFVOSMR-UHFFFAOYSA-N
XLogP3.58
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030
3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
CID 58985468
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
3-[3-[(cyclopropylamino)methyl]-2-fluorophenyl]-1H-indazole-5-carboxamide;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine
CID 157152862

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide (CID 11280967) is 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(CNC(=O)CCc4ccccc4)c3)c2c1.
What is the InChIKey of 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is FIXHCLCHFVOSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-24(30)19-10-11-21-20(14-19)23(28-27-21)18-8-4-7-17(13-18)15-26-22(29)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14H,9,12,15H2,(H2,25,30)(H,26,29)(H,27,28).
What are the key properties of 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 11280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).