(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid

C17H13N3O3 — CID 84583335

IUPAC(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C17H13N3O3/c21-15(22)9-6-11-4-7-13(8-5-11)19-17(23)14-3-1-2-12-10-18-20-16(12)14/h1-10H,(H,18,20)(H,19,23)(H,21,22)/b9-6+
InChIKeyJNOCXPPLZKUFAY-RMKNXTFCSA-N
MW307.31 g/mol
LogP2.91
Rot. Bonds4

About (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid

(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid (PubChem CID 84583335) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
PubChem CID84583335
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C17H13N3O3/c21-15(22)9-6-11-4-7-13(8-5-11)19-17(23)14-3-1-2-12-10-18-20-16(12)14/h1-10H,(H,18,20)(H,19,23)(H,21,22)/b9-6+
InChIKeyJNOCXPPLZKUFAY-RMKNXTFCSA-N
XLogP2.91
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic 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

N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1H-indazole-7-carboxamide
CID 55961643
(E)-3-[4-[(2-fluorobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411613
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
CID 24677220
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
3-[4-(2H-triazole-4-carbonylamino)phenyl]prop-2-enoic acid
CID 78979322
(E)-3-[4-[(3-hydroxybenzoyl)amino]phenyl]prop-2-enoic acid
CID 43654538
N'-methyl-N'-phenyl-1H-indazole-7-carbohydrazide
CID 69242941
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47036742
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid (CID 84583335) is (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1.
What is the InChIKey of (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid?
The InChIKey is JNOCXPPLZKUFAY-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15(22)9-6-11-4-7-13(8-5-11)19-17(23)14-3-1-2-12-10-18-20-16(12)14/h1-10H,(H,18,20)(H,19,23)(H,21,22)/b9-6+.
What are the key properties of (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid?
(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid has a molecular weight of 307.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 84583335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).