5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

C24H20BrFN4O5 — CID 156841013

About 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 156841013) has the molecular formula C24H20BrFN4O5 and a molecular weight of 543.35 g/mol. Its IUPAC name is 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 156841013
• Molecular Formula: C24H20BrFN4O5
• Molecular Weight: 543.35 g/mol
• Exact Mass: 542.06
• IUPAC Name: 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• SMILES: COc1nc2c(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(Br)c4=O)cc3F)ccnc2cc1O
• InChI: InChI=1S/C24H20BrFN4O5/c1-11-19(22(32)20(25)12(2)30(11)3)23(33)28-13-5-6-17(14(26)9-13)35-18-7-8-27-15-10-16(31)24(34-4)29-21(15)18/h5-10,31H,1-4H3,(H,28,33)
• InChIKey: LOKVONSJCFBFEQ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 115.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.35
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (CID 156841013) is 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is COc1nc2c(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(Br)c4=O)cc3F)ccnc2cc1O.

What is the InChIKey of 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

The InChIKey is LOKVONSJCFBFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN4O5/c1-11-19(22(32)20(25)12(2)30(11)3)23(33)28-13-5-6-17(14(26)9-13)35-18-7-8-27-15-10-16(31)24(34-4)29-21(15)18/h5-10,31H,1-4H3,(H,28,33).

What are the key properties of 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?

5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 543.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 156841013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).