3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one

C17H9F2N3OS — CID 134804874

IUPAC3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccsc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9F2N3OS/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
InChIKeyLRTRRLBEIPSSIG-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.79
Rot. Bonds2

About 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134804874) has the molecular formula C17H9F2N3OS and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134804874
Molecular FormulaC17H9F2N3OS
Molecular Weight341.34 g/mol
Exact Mass341.04
IUPAC Name3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccsc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C17H9F2N3OS/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
InChIKeyLRTRRLBEIPSSIG-UHFFFAOYSA-N
XLogP3.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Fluorophenyl)methyl]-5-methyl-4-thieno[3,4]pyrrolo[1,3-d]pyrimidinone
CID 25243788
3-[(4-Fluorophenyl)methyl]-5-methyl-4-thieno[3,4]pyrrolo[1,3-d]pyrimidinone
CID 44246515
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
1-Benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810897
2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-[(pyridin-2-YL)methyl]-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 3651708
1-(3-fluorobenzyl)-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 16841979
7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 30849298
7-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 45501528
7-(3-Fluorophenyl)-3-[(pyridin-3-YL)methyl]-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 53035263
7-(3-Fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53035264
7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 53035286

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one (CID 134804874) is 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccsc3)ccc2ncn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is LRTRRLBEIPSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS/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-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 341.34 g/mol, XLogP of 3.79, 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-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134804874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).