6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole

C27H21ClFN5O — CID 143997364

About 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole

6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997364) has the molecular formula C27H21ClFN5O and a molecular weight of 485.95 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

• Compound Name: 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
• PubChem CID: 143997364
• Molecular Formula: C27H21ClFN5O
• Molecular Weight: 485.95 g/mol
• Exact Mass: 485.14
• IUPAC Name: 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
• SMILES: C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(F)c4ccc(Cl)cc4)nc23)n1.Cn1ccnc1
• InChI: InChI=1S/C23H15ClFN3O.C4H6N2/c1-3-16-5-4-6-18(26-16)17-13-21(29)28(2)20-12-11-19(27-23(17)20)22(25)14-7-9-15(24)10-8-14;1-6-3-2-5-4-6/h1,4-13,22H,2H3;2-4H,1H3
• InChIKey: FEJSPWMCJDNJQS-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.95
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole?

The IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole (CID 143997364) is 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole.

What is the SMILES notation for 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole?

The canonical SMILES for 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole is C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(F)c4ccc(Cl)cc4)nc23)n1.Cn1ccnc1.

What is the InChIKey of 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole?

The InChIKey is FEJSPWMCJDNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O.C4H6N2/c1-3-16-5-4-6-18(26-16)17-13-21(29)28(2)20-12-11-19(27-23(17)20)22(25)14-7-9-15(24)10-8-14;1-6-3-2-5-4-6/h1,4-13,22H,2H3;2-4H,1H3.

What are the key properties of 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole?

6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole has a molecular weight of 485.95 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).