1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine

C17H15ClFN3O — CID 67418640

IUPAC1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1
InChIInChI=1S/C17H15ClFN3O/c18-12-1-3-13(4-2-12)22-15-10-20-16(19)9-14(15)17(21-22)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2
InChIKeyLFXMITVLOJBEER-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.11
Rot. Bonds2

About 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine

1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine (PubChem CID 67418640) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine
PubChem CID67418640
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1
InChIInChI=1S/C17H15ClFN3O/c18-12-1-3-13(4-2-12)22-15-10-20-16(19)9-14(15)17(21-22)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2
InChIKeyLFXMITVLOJBEER-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine 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)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine (CID 67418640) is 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine is Fc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.
What is the InChIKey of 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is LFXMITVLOJBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c18-12-1-3-13(4-2-12)22-15-10-20-16(19)9-14(15)17(21-22)11-5-7-23-8-6-11/h1-4,9-11H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 331.78 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 67418640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).