2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C16H12N4O2 — CID 136953109

IUPAC2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-20-13-5-3-2-4-9(13)15(19-20)12-8-11-14(18-12)10(16(21)22)6-7-17-11/h2-8,18H,1H3,(H,21,22)
InChIKeyYMNGPJXGHYXUBI-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.81
Rot. Bonds2

About 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953109) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953109
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccccc21
InChIInChI=1S/C16H12N4O2/c1-20-13-5-3-2-4-9(13)15(19-20)12-8-11-14(18-12)10(16(21)22)6-7-17-11/h2-8,18H,1H3,(H,21,22)
InChIKeyYMNGPJXGHYXUBI-UHFFFAOYSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953109) is 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Cn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccccc21.
What is the InChIKey of 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is YMNGPJXGHYXUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-20-13-5-3-2-4-9(13)15(19-20)12-8-11-14(18-12)10(16(21)22)6-7-17-11/h2-8,18H,1H3,(H,21,22).
What are the key properties of 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).