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

C26H21F2N3O4 — CID 175776313

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(C3=CNC(=C4CC=CO4)C=C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=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
InChIKeyOFAFIXXGIHNIFR-UHFFFAOYSA-N
MW477.47 g/mol
LogP5.03
Rot. Bonds6

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 Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
PubChem CID175776313
Molecular FormulaC26H21F2N3O4
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(C3=CNC(=C4CC=CO4)C=C3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=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
InChIKeyOFAFIXXGIHNIFR-UHFFFAOYSA-N
XLogP5.03
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).