7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid

C11H12N4O2 — CID 84695504

IUPAC7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(N3CCCC3)c2[nH]1
InChIInChI=1S/C11H12N4O2/c16-11(17)10-13-8-7(15-5-1-2-6-15)3-4-12-9(8)14-10/h3-4H,1-2,5-6H2,(H,16,17)(H,12,13,14)
InChIKeyBIHUYXYWIKBMQT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds2

About 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid

7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 84695504) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID84695504
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(N3CCCC3)c2[nH]1
InChIInChI=1S/C11H12N4O2/c16-11(17)10-13-8-7(15-5-1-2-6-15)3-4-12-9(8)14-10/h3-4H,1-2,5-6H2,(H,16,17)(H,12,13,14)
InChIKeyBIHUYXYWIKBMQT-UHFFFAOYSA-N
XLogP1.26
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid (CID 84695504) is 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is O=C(O)c1nc2nccc(N3CCCC3)c2[nH]1.
What is the InChIKey of 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is BIHUYXYWIKBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)10-13-8-7(15-5-1-2-6-15)3-4-12-9(8)14-10/h3-4H,1-2,5-6H2,(H,16,17)(H,12,13,14).
What are the key properties of 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid?
7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84695504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).