6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one

C26H18ClFN6O — CID 75146692

About 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one

6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one (PubChem CID 75146692) has the molecular formula C26H18ClFN6O and a molecular weight of 484.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
• PubChem CID: 75146692
• Molecular Formula: C26H18ClFN6O
• Molecular Weight: 484.92 g/mol
• Exact Mass: 484.12
• IUPAC Name: 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
• SMILES: C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(F)(c4ccc(Cl)cc4)c4cnnn4C)nc23)n1
• InChI: InChI=1S/C26H18ClFN6O/c1-4-18-6-5-7-20(30-18)19-14-24(35)33(2)21-12-13-22(31-25(19)21)26(28,23-15-29-32-34(23)3)16-8-10-17(27)11-9-16/h1,5-15H,2-3H3
• InChIKey: SAXSTKQMADWUBB-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 78.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.92
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?

The IUPAC name of 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one (CID 75146692) is 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one.

What is the SMILES notation for 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?

The canonical SMILES for 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one is C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(F)(c4ccc(Cl)cc4)c4cnnn4C)nc23)n1.

What is the InChIKey of 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?

The InChIKey is SAXSTKQMADWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN6O/c1-4-18-6-5-7-20(30-18)19-14-24(35)33(2)21-12-13-22(31-25(19)21)26(28,23-15-29-32-34(23)3)16-8-10-17(27)11-9-16/h1,5-15H,2-3H3.

What are the key properties of 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one?

6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 484.92 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chlorophenyl)-fluoro-(3-methyltriazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 75146692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).