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

C19H24N4O4 — CID 50973390

IUPAC2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC)n1c(=O)n(Cc2cc(C(C)C)no2)c2cc(C(=O)O)cnc21
InChIInChI=1S/C19H24N4O4/c1-5-13(6-2)23-17-16(7-12(9-20-17)18(24)25)22(19(23)26)10-14-8-15(11(3)4)21-27-14/h7-9,11,13H,5-6,10H2,1-4H3,(H,24,25)
InChIKeyTVHVJSGJRMMPJJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.42
Rot. Bonds7

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

2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 50973390) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID50973390
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC)n1c(=O)n(Cc2cc(C(C)C)no2)c2cc(C(=O)O)cnc21
InChIInChI=1S/C19H24N4O4/c1-5-13(6-2)23-17-16(7-12(9-20-17)18(24)25)22(19(23)26)10-14-8-15(11(3)4)21-27-14/h7-9,11,13H,5-6,10H2,1-4H3,(H,24,25)
InChIKeyTVHVJSGJRMMPJJ-UHFFFAOYSA-N
XLogP3.42
TPSA103.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid (CID 50973390) is 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid is CCC(CC)n1c(=O)n(Cc2cc(C(C)C)no2)c2cc(C(=O)O)cnc21.
What is the InChIKey of 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is TVHVJSGJRMMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-13(6-2)23-17-16(7-12(9-20-17)18(24)25)22(19(23)26)10-14-8-15(11(3)4)21-27-14/h7-9,11,13H,5-6,10H2,1-4H3,(H,24,25).
What are the key properties of 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid?
2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-pentan-3-yl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 50973390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).