5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine

C22H20FN3O — CID 10292063

IUPAC5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESCCCCOc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C22H20FN3O/c1-2-3-14-27-19-10-13-26-20(15-19)21(16-8-11-24-12-9-16)22(25-26)17-4-6-18(23)7-5-17/h4-13,15H,2-3,14H2,1H3
InChIKeyMERKQTBXUWCDFF-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.38
Rot. Bonds6

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

5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (PubChem CID 10292063) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
PubChem CID10292063
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESCCCCOc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C22H20FN3O/c1-2-3-14-27-19-10-13-26-20(15-19)21(16-8-11-24-12-9-16)22(25-26)17-4-6-18(23)7-5-17/h4-13,15H,2-3,14H2,1H3
InChIKeyMERKQTBXUWCDFF-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (CID 10292063) is 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is CCCCOc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1.
What is the InChIKey of 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The InChIKey is MERKQTBXUWCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-2-3-14-27-19-10-13-26-20(15-19)21(16-8-11-24-12-9-16)22(25-26)17-4-6-18(23)7-5-17/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[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 5-butoxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 10292063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).