4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid

C19H18N2O3 — CID 168925253

IUPAC4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3cc(C4CCOCC4)ccc23)cc1
InChIInChI=1S/C19H18N2O3/c22-19(23)15-3-1-14(2-4-15)17-11-20-21-12-16(5-6-18(17)21)13-7-9-24-10-8-13/h1-6,11-13H,7-10H2,(H,22,23)
InChIKeyUUYHLTWBOSWHNZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.59
Rot. Bonds3

About 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid

4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid (PubChem CID 168925253) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
PubChem CID168925253
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3cc(C4CCOCC4)ccc23)cc1
InChIInChI=1S/C19H18N2O3/c22-19(23)15-3-1-14(2-4-15)17-11-20-21-12-16(5-6-18(17)21)13-7-9-24-10-8-13/h1-6,11-13H,7-10H2,(H,22,23)
InChIKeyUUYHLTWBOSWHNZ-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic 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 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid (CID 168925253) is 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnn3cc(C4CCOCC4)ccc23)cc1.
What is the InChIKey of 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
The InChIKey is UUYHLTWBOSWHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(23)15-3-1-14(2-4-15)17-11-20-21-12-16(5-6-18(17)21)13-7-9-24-10-8-13/h1-6,11-13H,7-10H2,(H,22,23).
What are the key properties of 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid?
4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 168925253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).