2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid

C16H13N3O3 — CID 170858284

IUPAC2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H13N3O3/c20-14(21)9-10-4-3-5-11(8-10)17-16(22)15-12-6-1-2-7-13(12)18-19-15/h1-8H,9H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeySRUUGHHFYNRFOU-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.44
Rot. Bonds4

About 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid

2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid (PubChem CID 170858284) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
PubChem CID170858284
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H13N3O3/c20-14(21)9-10-4-3-5-11(8-10)17-16(22)15-12-6-1-2-7-13(12)18-19-15/h1-8H,9H2,(H,17,22)(H,18,19)(H,20,21)
InChIKeySRUUGHHFYNRFOU-UHFFFAOYSA-N
XLogP2.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid 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-(1H-indazole-3-carbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 170858629
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 110899639
2-amino-3-[3-[(5-fluoro-1H-indazole-3-carbonyl)amino]phenyl]propanoic acid
CID 167989101
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
CID 89459064
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid (CID 170858284) is 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid?
The InChIKey is SRUUGHHFYNRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14(21)9-10-4-3-5-11(8-10)17-16(22)15-12-6-1-2-7-13(12)18-19-15/h1-8H,9H2,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid?
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 170858284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).