3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid

C16H11N3O2 — CID 39220248

IUPAC3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc4[nH]ccc4c3)n[nH]c2c1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-1-3-12-14(8-11)18-19-15(12)10-2-4-13-9(7-10)5-6-17-13/h1-8,17H,(H,18,19)(H,20,21)
InChIKeyPPBAENVZLKAQJS-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.41
Rot. Bonds2

About 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid

3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid (PubChem CID 39220248) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
PubChem CID39220248
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc4[nH]ccc4c3)n[nH]c2c1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-1-3-12-14(8-11)18-19-15(12)10-2-4-13-9(7-10)5-6-17-13/h1-8,17H,(H,18,19)(H,20,21)
InChIKeyPPBAENVZLKAQJS-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid (CID 39220248) is 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(-c3ccc4[nH]ccc4c3)n[nH]c2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid?
The InChIKey is PPBAENVZLKAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)11-1-3-12-14(8-11)18-19-15(12)10-2-4-13-9(7-10)5-6-17-13/h1-8,17H,(H,18,19)(H,20,21).
What are the key properties of 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid?
3-(1H-indol-5-yl)-1H-indazole-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 3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39220248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).