5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

C28H26F2N4O5 — CID 164904978

About 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 164904978) has the molecular formula C28H26F2N4O5 and a molecular weight of 536.54 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 164904978
• Molecular Formula: C28H26F2N4O5
• Molecular Weight: 536.54 g/mol
• Exact Mass: 536.19
• IUPAC Name: 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3cc(F)c(NC(=O)c4c(C)n(C)c(C)c(C5CC5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C28H26F2N4O5/c1-13-23(15-6-7-15)26(35)24(14(2)34(13)3)27(36)32-18-10-17(30)21(11-16(18)29)39-20-8-9-31-19-12-22(37-4)28(38-5)33-25(19)20/h8-12,15H,6-7H2,1-5H3,(H,32,36)
• InChIKey: PFXBKZZAEFPZBP-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (CID 164904978) is 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3cc(F)c(NC(=O)c4c(C)n(C)c(C)c(C5CC5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The InChIKey is PFXBKZZAEFPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O5/c1-13-23(15-6-7-15)26(35)24(14(2)34(13)3)27(36)32-18-10-17(30)21(11-16(18)29)39-20-8-9-31-19-12-22(37-4)28(38-5)33-25(19)20/h8-12,15H,6-7H2,1-5H3,(H,32,36).

What are the key properties of 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 536.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-2,5-difluorophenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 164904978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).