2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine

C24H18ClFN4O — CID 146662229

About 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine

2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine (PubChem CID 146662229) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine.

Molecular Properties

• Compound Name: 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine
• PubChem CID: 146662229
• Molecular Formula: C24H18ClFN4O
• Molecular Weight: 432.89 g/mol
• Exact Mass: 432.12
• IUPAC Name: 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine
• SMILES: C#Cc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)ccc3F)nc2c1
• InChI: InChI=1S/C24H18ClFN4O/c1-2-15-11-22-21(27-13-15)9-8-20(28-22)18-14-30(23-5-3-4-10-31-23)29-24(18)17-12-16(25)6-7-19(17)26/h1,6-9,11-14,23H,3-5,10H2
• InChIKey: LETZSFNUQUERSA-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.89
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?

The IUPAC name of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine (CID 146662229) is 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine.

What is the SMILES notation for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?

The canonical SMILES for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine is C#Cc1cnc2ccc(-c3cn(C4CCCCO4)nc3-c3cc(Cl)ccc3F)nc2c1.

What is the InChIKey of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?

The InChIKey is LETZSFNUQUERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c1-2-15-11-22-21(27-13-15)9-8-20(28-22)18-14-30(23-5-3-4-10-31-23)29-24(18)17-12-16(25)6-7-19(17)26/h1,6-9,11-14,23H,3-5,10H2.

What are the key properties of 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine?

2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine has a molecular weight of 432.89 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-ethynyl-1,5-naphthyridine is sourced from PubChem (CID 146662229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).