2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid

C20H24N4O3 — CID 50963160

IUPAC2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC)n1c(=O)n(CCCc2cccnc2)c2cc(C(=O)O)cnc21
InChIInChI=1S/C20H24N4O3/c1-3-16(4-2)24-18-17(11-15(13-22-18)19(25)26)23(20(24)27)10-6-8-14-7-5-9-21-12-14/h5,7,9,11-13,16H,3-4,6,8,10H2,1-2H3,(H,25,26)
InChIKeyBBYOVUSQHBOSEK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.29
Rot. Bonds8

About 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid

2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 50963160) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID50963160
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC)n1c(=O)n(CCCc2cccnc2)c2cc(C(=O)O)cnc21
InChIInChI=1S/C20H24N4O3/c1-3-16(4-2)24-18-17(11-15(13-22-18)19(25)26)23(20(24)27)10-6-8-14-7-5-9-21-12-14/h5,7,9,11-13,16H,3-4,6,8,10H2,1-2H3,(H,25,26)
InChIKeyBBYOVUSQHBOSEK-UHFFFAOYSA-N
XLogP3.29
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid (CID 50963160) is 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid is CCC(CC)n1c(=O)n(CCCc2cccnc2)c2cc(C(=O)O)cnc21.
What is the InChIKey of 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is BBYOVUSQHBOSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-16(4-2)24-18-17(11-15(13-22-18)19(25)26)23(20(24)27)10-6-8-14-7-5-9-21-12-14/h5,7,9,11-13,16H,3-4,6,8,10H2,1-2H3,(H,25,26).
What are the key properties of 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid?
2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-pentan-3-yl-1-(3-pyridin-3-ylpropyl)imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 50963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).