3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one

C15H11F2N3O2 — CID 110026772

IUPAC3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2/c16-9-1-2-10(12(17)5-9)14(21)7-20-8-19-13-6-18-4-3-11(13)15(20)22/h1-6,8,14,21H,7H2
InChIKeyZYPZDSWWDWFSMJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.80
Rot. Bonds3

About 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one

3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 110026772) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID110026772
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2/c16-9-1-2-10(12(17)5-9)14(21)7-20-8-19-13-6-18-4-3-11(13)15(20)22/h1-6,8,14,21H,7H2
InChIKeyZYPZDSWWDWFSMJ-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyrimidin-4-one
CID 167943855
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 75518916
3-[2-hydroxy-3-[2-(trifluoromethyl)phenyl]propyl]pyrido[3,4-d]pyrimidin-4-one
CID 84599267
4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361724
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94182767
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122136488
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 124624577

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one (CID 110026772) is 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1CC(O)c1ccc(F)cc1F.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZYPZDSWWDWFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-9-1-2-10(12(17)5-9)14(21)7-20-8-19-13-6-18-4-3-11(13)15(20)22/h1-6,8,14,21H,7H2.
What are the key properties of 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one?
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 303.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 110026772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).