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

C33H35FN4O6 — CID 170699123

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

5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 170699123) has the molecular formula C33H35FN4O6 and a molecular weight of 602.66 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 170699123
• Molecular Formula: C33H35FN4O6
• Molecular Weight: 602.66 g/mol
• Exact Mass: 602.25
• IUPAC Name: 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
• SMILES: COCCOc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(C5=CCCCC5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C33H35FN4O6/c1-19-28(21-9-7-6-8-10-21)31(39)29(20(2)38(19)3)32(40)36-22-11-12-25(23(34)17-22)44-26-13-14-35-24-18-27(43-16-15-41-4)33(42-5)37-30(24)26/h9,11-14,17-18H,6-8,10,15-16H2,1-5H3,(H,36,40)
• InChIKey: GPSAOUUFWKSLFY-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 113.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.66
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (CID 170699123) is 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

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

The canonical SMILES for 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is COCCOc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)c(C)c(C5=CCCCC5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is GPSAOUUFWKSLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O6/c1-19-28(21-9-7-6-8-10-21)31(39)29(20(2)38(19)3)32(40)36-22-11-12-25(23(34)17-22)44-26-13-14-35-24-18-27(43-16-15-41-4)33(42-5)37-30(24)26/h9,11-14,17-18H,6-8,10,15-16H2,1-5H3,(H,36,40).

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

5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 602.66 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclohexen-1-yl)-N-[3-fluoro-4-[[6-methoxy-7-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 170699123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).