2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid

C16H11N3O2 — CID 135445358

IUPAC2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C16H11N3O2/c20-16(21)10-6-5-9-7-14(17-13(9)8-10)15-11-3-1-2-4-12(11)18-19-15/h1-8,17H,(H,18,19)(H,20,21)
InChIKeyLGCYYLQERLQEPI-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.41
Rot. Bonds2

About 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid

2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid (PubChem CID 135445358) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
PubChem CID135445358
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C16H11N3O2/c20-16(21)10-6-5-9-7-14(17-13(9)8-10)15-11-3-1-2-4-12(11)18-19-15/h1-8,17H,(H,18,19)(H,20,21)
InChIKeyLGCYYLQERLQEPI-UHFFFAOYSA-N
XLogP3.41
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic 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

2-phenyl-1H-indole-6-carboxylic acid
CID 826252
Methyl 3-[5-(morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxylate
CID 135414445
4-[5-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-1H-pyrrol-2-yl]benzoic acid
CID 135409525
Benzoic acid, 4-(5-(1,5-bis(1-methylethyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)-
CID 135525244
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 3833115
2,3-Dimethyl-1H-indole-6-carboxylic acid
CID 2772885
Ethyl 3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene-5-carboxylate
CID 135432839
5-{[(2-Methylindol-3-ylidene)azamethyl]amino}benzene-1,3-dicarboxylic acid
CID 3495525
3-Cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid
CID 5275439
4-[5-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl]-1H-pyrrol-2-yl]benzoic acid
CID 135779224
4-methyl-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4153222
3-[2-(2-methyl-3H-indol-3-ylidene)hydrazino]benzoic acid
CID 4292674

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid?
The IUPAC name of 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid (CID 135445358) is 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid is O=C(O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid?
The InChIKey is LGCYYLQERLQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)10-6-5-9-7-14(17-13(9)8-10)15-11-3-1-2-4-12(11)18-19-15/h1-8,17H,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid?
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 135445358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).