1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine

C25H24ClF4N5O — CID 177260139

About 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine

1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine (PubChem CID 177260139) has the molecular formula C25H24ClF4N5O and a molecular weight of 521.95 g/mol. Its IUPAC name is 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine.

Molecular Properties

• Compound Name: 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine
• PubChem CID: 177260139
• Molecular Formula: C25H24ClF4N5O
• Molecular Weight: 521.95 g/mol
• Exact Mass: 521.16
• IUPAC Name: 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine
• SMILES: C/N=C(\C)c1cc(C)c(CN2CCc3cc(C(F)(F)F)c(OCc4ccc(Cl)cc4F)nc3C2)nn1
• InChI: InChI=1S/C25H24ClF4N5O/c1-14-8-21(15(2)31-3)33-34-22(14)11-35-7-6-16-9-19(25(28,29)30)24(32-23(16)12-35)36-13-17-4-5-18(26)10-20(17)27/h4-5,8-10H,6-7,11-13H2,1-3H3/b31-15+
• InChIKey: DBJARVJFQJAHRU-IBBHUPRXSA-N
• XLogP: 5.57
• TPSA: 63.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.95
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine?

The IUPAC name of 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine (CID 177260139) is 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine.

What is the SMILES notation for 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine?

The canonical SMILES for 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine is C/N=C(\C)c1cc(C)c(CN2CCc3cc(C(F)(F)F)c(OCc4ccc(Cl)cc4F)nc3C2)nn1.

What is the InChIKey of 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine?

The InChIKey is DBJARVJFQJAHRU-IBBHUPRXSA-N. The full InChI is InChI=1S/C25H24ClF4N5O/c1-14-8-21(15(2)31-3)33-34-22(14)11-35-7-6-16-9-19(25(28,29)30)24(32-23(16)12-35)36-13-17-4-5-18(26)10-20(17)27/h4-5,8-10H,6-7,11-13H2,1-3H3/b31-15+.

What are the key properties of 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine?

1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine has a molecular weight of 521.95 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine is sourced from PubChem (CID 177260139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).