3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine

C22H20FN3O — CID 10155494

IUPAC3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
SMILESCCCCOc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)ccn1
InChIInChI=1S/C22H20FN3O/c1-2-3-14-27-20-15-17(11-12-24-20)21-19-6-4-5-13-26(19)25-22(21)16-7-9-18(23)10-8-16/h4-13,15H,2-3,14H2,1H3
InChIKeyRSQHAOBNEDYEBV-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.38
Rot. Bonds6

About 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine

3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine (PubChem CID 10155494) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
PubChem CID10155494
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
SMILESCCCCOc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)ccn1
InChIInChI=1S/C22H20FN3O/c1-2-3-14-27-20-15-17(11-12-24-20)21-19-6-4-5-13-26(19)25-22(21)16-7-9-18(23)10-8-16/h4-13,15H,2-3,14H2,1H3
InChIKeyRSQHAOBNEDYEBV-UHFFFAOYSA-N
XLogP5.38
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]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-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine (CID 10155494) is 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine is CCCCOc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)ccn1.
What is the InChIKey of 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is RSQHAOBNEDYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-2-3-14-27-20-15-17(11-12-24-20)21-19-6-4-5-13-26(19)25-22(21)16-7-9-18(23)10-8-16/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine?
3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 361.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxy-4-pyridinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 10155494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).