3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C21H15F2N3O3 — CID 134808976

IUPAC3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H15F2N3O3/c1-28-13-4-8-19(29-2)14(10-13)16-5-6-17-20(25-16)21(27)26(11-24-17)18-7-3-12(22)9-15(18)23/h3-11H,1-2H3
InChIKeyVBRLCXTTZSXSLU-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.74
Rot. Bonds4

About 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808976) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808976
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H15F2N3O3/c1-28-13-4-8-19(29-2)14(10-13)16-5-6-17-20(25-16)21(27)26(11-24-17)18-7-3-12(22)9-15(18)23/h3-11H,1-2H3
InChIKeyVBRLCXTTZSXSLU-UHFFFAOYSA-N
XLogP3.74
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
[6-(2,5-dimethoxyphenyl)-2-(dimethylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45199926
[6-(2,5-Dimethoxyphenyl)-2-(dimethylamino)-3-pyridinyl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 52946621
3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
3-(2,4-Difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810714
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
6-(3-Hydroxyphenyl)-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805586
6-(3-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941
3-Cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134808976) is 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccc(OC)c(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is VBRLCXTTZSXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-28-13-4-8-19(29-2)14(10-13)16-5-6-17-20(25-16)21(27)26(11-24-17)18-7-3-12(22)9-15(18)23/h3-11H,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 395.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).