3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

C₂₃H₁₅ClFN₅O — CID 146662112

About 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one

3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 146662112) has the molecular formula C₂₃H₁₅ClFN₅O and a molecular weight of 431.86 g/mol. Its IUPAC name is 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
• PubChem CID: 146662112
• Molecular Formula: C₂₃H₁₅ClFN₅O
• Molecular Weight: 431.86 g/mol
• Exact Mass: 431.09
• IUPAC Name: 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one
• SMILES: Cn1cccc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)c1=O
• InChI: InChI=1S/C23H15ClFN5O/c1-30-8-2-3-15(23(30)31)13-9-21-20(26-11-13)7-6-19(28-21)17-12-27-29-22(17)16-10-14(24)4-5-18(16)25/h2-12H,1H3,(H,27,29)
• InChIKey: KBLKPUDKAIADKC-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.86
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?

The IUPAC name of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one (CID 146662112) is 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one.

What is the SMILES notation for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?

The canonical SMILES for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is Cn1cccc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)c1=O.

What is the InChIKey of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?

The InChIKey is KBLKPUDKAIADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O/c1-30-8-2-3-15(23(30)31)13-9-21-20(26-11-13)7-6-19(28-21)17-12-27-29-22(17)16-10-14(24)4-5-18(16)25/h2-12H,1H3,(H,27,29).

What are the key properties of 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one?

3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 431.86 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146662112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146662112 — identifiers, structure, computed properties (public domain)

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