N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide

C25H24ClFN6O3 — CID 71744871

About N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide

N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide (PubChem CID 71744871) has the molecular formula C25H24ClFN6O3 and a molecular weight of 510.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
• PubChem CID: 71744871
• Molecular Formula: C25H24ClFN6O3
• Molecular Weight: 510.96 g/mol
• Exact Mass: 510.16
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
• SMILES: CCn1cnc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21
• InChI: InChI=1S/C25H24ClFN6O3/c1-3-31-14-30-19-10-28-22-17(21(19)31)8-18(23(35)29-9-15-4-6-16(26)7-5-15)24(36)33(22)11-20(34)32-12-25(2,27)13-32/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,29,35)
• InChIKey: HJIPKOHOYQRZDZ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.96
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide (CID 71744871) is N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide is CCn1cnc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide?

The InChIKey is HJIPKOHOYQRZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O3/c1-3-31-14-30-19-10-28-22-17(21(19)31)8-18(23(35)29-9-15-4-6-16(26)7-5-15)24(36)33(22)11-20(34)32-12-25(2,27)13-32/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,29,35).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide?

N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 510.96 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 71744871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).