1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one

C26H21F2N3O4 — CID 175776313

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one (PubChem CID 175776313) has the molecular formula C26H21F2N3O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
• PubChem CID: 175776313
• Molecular Formula: C26H21F2N3O4
• Molecular Weight: 477.47 g/mol
• Exact Mass: 477.15
• IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
• SMILES: CCOc1ccc2cc(C3=CNC(=C4CC=CO4)C=C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
• InChI: InChI=1S/C26H21F2N3O4/c1-2-33-23-12-6-16-14-20(17-5-11-21(29-15-17)22-4-3-13-34-22)25(32)31(24(16)30-23)18-7-9-19(10-8-18)35-26(27)28/h3,5-15,26,29H,2,4H2,1H3
• InChIKey: OFAFIXXGIHNIFR-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.47
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one?

The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one (CID 175776313) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one.

What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one?

The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one is CCOc1ccc2cc(C3=CNC(=C4CC=CO4)C=C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.

What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one?

The InChIKey is OFAFIXXGIHNIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O4/c1-2-33-23-12-6-16-14-20(17-5-11-21(29-15-17)22-4-3-13-34-22)25(32)31(24(16)30-23)18-7-9-19(10-8-18)35-26(27)28/h3,5-15,26,29H,2,4H2,1H3.

What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one?

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one has a molecular weight of 477.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 175776313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).