6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

C35H41N3O4 — CID 154670160

About 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 154670160) has the molecular formula C35H41N3O4 and a molecular weight of 567.73 g/mol. Its IUPAC name is 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
• PubChem CID: 154670160
• Molecular Formula: C35H41N3O4
• Molecular Weight: 567.73 g/mol
• Exact Mass: 567.31
• IUPAC Name: 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1CC(Oc2ccc(CC(C)C)c(C)c2)C1
• InChI: InChI=1S/C35H41N3O4/c1-21(2)11-24-9-10-26(12-22(24)3)42-27-17-38(18-27)20-31-33(40-5)13-25(14-34(31)41-6)30-19-37(4)35(39)29-16-36-32(15-28(29)30)23-7-8-23/h9-10,12-16,19,21,23,27H,7-8,11,17-18,20H2,1-6H3
• InChIKey: SWXVQKYTATUAPD-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 65.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.73
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?

The IUPAC name of 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 154670160) is 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?

The canonical SMILES for 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnc(C4CC4)cc23)cc(OC)c1CN1CC(Oc2ccc(CC(C)C)c(C)c2)C1.

What is the InChIKey of 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?

The InChIKey is SWXVQKYTATUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O4/c1-21(2)11-24-9-10-26(12-22(24)3)42-27-17-38(18-27)20-31-33(40-5)13-25(14-34(31)41-6)30-19-37(4)35(39)29-16-36-32(15-28(29)30)23-7-8-23/h9-10,12-16,19,21,23,27H,7-8,11,17-18,20H2,1-6H3.

What are the key properties of 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?

6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 567.73 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-4-[3,5-dimethoxy-4-[[3-[3-methyl-4-(2-methylpropyl)phenoxy]azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 154670160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).