3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

C15H10FN3O — CID 156844845

IUPAC3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESFc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C15H10FN3O/c16-14-5-4-13-12-3-2-11(19-7-1-6-17-19)8-10(12)9-20-15(13)18-14/h1-8H,9H2
InChIKeyULOUPCBVQCZPFR-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.97
Rot. Bonds1

About 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine

3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (PubChem CID 156844845) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
PubChem CID156844845
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
SMILESFc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C15H10FN3O/c16-14-5-4-13-12-3-2-11(19-7-1-6-17-19)8-10(12)9-20-15(13)18-14/h1-8H,9H2
InChIKeyULOUPCBVQCZPFR-UHFFFAOYSA-N
XLogP2.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]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 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The IUPAC name of 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine (CID 156844845) is 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine.
What is the SMILES notation for 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The canonical SMILES for 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is Fc1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2.
What is the InChIKey of 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
The InChIKey is ULOUPCBVQCZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-14-5-4-13-12-3-2-11(19-7-1-6-17-19)8-10(12)9-20-15(13)18-14/h1-8H,9H2.
What are the key properties of 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine?
3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine has a molecular weight of 267.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine is sourced from PubChem (CID 156844845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).