3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one

C17H9F2N3O2 — CID 134805960

IUPAC3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccoc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9F2N3O2/c18-11-1-4-15(12(19)7-11)22-9-20-14-3-2-13(10-5-6-24-8-10)21-16(14)17(22)23/h1-9H
InChIKeyABIJPUNKIUOHKK-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.32
Rot. Bonds2

About 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805960) has the molecular formula C17H9F2N3O2 and a molecular weight of 325.27 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805960
Molecular FormulaC17H9F2N3O2
Molecular Weight325.27 g/mol
Exact Mass325.07
IUPAC Name3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccoc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9F2N3O2/c18-11-1-4-15(12(19)7-11)22-9-20-14-3-2-13(10-5-6-24-8-10)21-16(14)17(22)23/h1-9H
InChIKeyABIJPUNKIUOHKK-UHFFFAOYSA-N
XLogP3.32
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one (CID 134805960) is 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccoc3)ccc2ncn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ABIJPUNKIUOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2/c18-11-1-4-15(12(19)7-11)22-9-20-14-3-2-13(10-5-6-24-8-10)21-16(14)17(22)23/h1-9H.
What are the key properties of 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 325.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).