1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one

C17H16ClN3O2 — CID 67417003

IUPAC1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one
SMILESO=c1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2c[nH]1
InChIInChI=1S/C17H16ClN3O2/c18-12-1-3-13(4-2-12)21-15-10-19-16(22)9-14(15)17(20-21)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2,(H,19,22)
InChIKeyCMSNTCIJYVOACY-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one

1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one (PubChem CID 67417003) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one
PubChem CID67417003
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one
SMILESO=c1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2c[nH]1
InChIInChI=1S/C17H16ClN3O2/c18-12-1-3-13(4-2-12)21-15-10-19-16(22)9-14(15)17(20-21)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2,(H,19,22)
InChIKeyCMSNTCIJYVOACY-UHFFFAOYSA-N
XLogP3.26
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one 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 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one (CID 67417003) is 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one is O=c1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2c[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one?
The InChIKey is CMSNTCIJYVOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-12-1-3-13(4-2-12)21-15-10-19-16(22)9-14(15)17(20-21)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one?
1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one has a molecular weight of 329.79 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one is sourced from PubChem (CID 67417003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).