3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid

C20H19N3O4 — CID 135632681

IUPAC3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid
SMILESCC(C)n1ncc2c1NC(=O)CC2c1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C20H19N3O4/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(27-17)12-4-3-5-13(8-12)20(25)26/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyZWJBVUIZAGEFGH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.90
Rot. Bonds4

About 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid

3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid (PubChem CID 135632681) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid
PubChem CID135632681
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid
SMILESCC(C)n1ncc2c1NC(=O)CC2c1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C20H19N3O4/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(27-17)12-4-3-5-13(8-12)20(25)26/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyZWJBVUIZAGEFGH-UHFFFAOYSA-N
XLogP3.90
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-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 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid?
The IUPAC name of 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid (CID 135632681) is 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid?
The canonical SMILES for 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid is CC(C)n1ncc2c1NC(=O)CC2c1ccc(-c2cccc(C(=O)O)c2)o1.
What is the InChIKey of 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid?
The InChIKey is ZWJBVUIZAGEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11(2)23-19-15(10-21-23)14(9-18(24)22-19)17-7-6-16(27-17)12-4-3-5-13(8-12)20(25)26/h3-8,10-11,14H,9H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid?
3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid has a molecular weight of 365.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)furan-2-yl]benzoic acid is sourced from PubChem (CID 135632681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).