1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid

C22H18N4O3 — CID 59341274

IUPAC1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
SMILESNc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C22H18N4O3/c23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29/h1-12H,13,23H2,(H,24,27)(H,28,29)
InChIKeySTCMXORTEKMNOY-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.62
Rot. Bonds5

About 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid

1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid (PubChem CID 59341274) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
PubChem CID59341274
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
SMILESNc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C22H18N4O3/c23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29/h1-12H,13,23H2,(H,24,27)(H,28,29)
InChIKeySTCMXORTEKMNOY-UHFFFAOYSA-N
XLogP3.62
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
CID 59341329
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide
CID 59341295
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
1-benzylindazole-3-carboxylate
CID 22239042

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid (CID 59341274) is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid is Nc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid?
The InChIKey is STCMXORTEKMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29/h1-12H,13,23H2,(H,24,27)(H,28,29).
What are the key properties of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid?
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 59341274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).