N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C32H28F2N6O4 — CID 155276643

About N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 155276643) has the molecular formula C32H28F2N6O4 and a molecular weight of 598.61 g/mol. Its IUPAC name is N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 155276643
• Molecular Formula: C32H28F2N6O4
• Molecular Weight: 598.61 g/mol
• Exact Mass: 598.21
• IUPAC Name: N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccnc3cc(NCCN4CCOCC4)ncc23)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C32H28F2N6O4/c33-21-3-1-20(2-4-21)23-17-35-18-25(31(23)41)32(42)39-22-5-6-29(26(34)15-22)44-28-7-8-36-27-16-30(38-19-24(27)28)37-9-10-40-11-13-43-14-12-40/h1-8,15-19H,9-14H2,(H,35,41)(H,37,38)(H,39,42)
• InChIKey: HZVIKWJDDKRSBR-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 121.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 155276643) is N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3cc(NCCN4CCOCC4)ncc23)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O.

What is the InChIKey of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?

The InChIKey is HZVIKWJDDKRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N6O4/c33-21-3-1-20(2-4-21)23-17-35-18-25(31(23)41)32(42)39-22-5-6-29(26(34)15-22)44-28-7-8-36-27-16-30(38-19-24(27)28)37-9-10-40-11-13-43-14-12-40/h1-8,15-19H,9-14H2,(H,35,41)(H,37,38)(H,39,42).

What are the key properties of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?

N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 598.61 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155276643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).