6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

C19H13FN4O2 — CID 137279420

IUPAC6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H13FN4O2/c20-14-9-12(4-7-17(14)25)15-5-6-16-18(23-15)19(26)24(11-22-16)10-13-3-1-2-8-21-13/h1-9,11,25H,10H2
InChIKeyGWLFUMGEVXHPGU-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.75
Rot. Bonds3

About 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 137279420) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID137279420
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1Cc1ccccn1
InChIInChI=1S/C19H13FN4O2/c20-14-9-12(4-7-17(14)25)15-5-6-16-18(23-15)19(26)24(11-22-16)10-13-3-1-2-8-21-13/h1-9,11,25H,10H2
InChIKeyGWLFUMGEVXHPGU-UHFFFAOYSA-N
XLogP2.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dipyridodiazepinone deriv. 61
CID 463188
3-[2-(2-Fluorophenyl)ethyl]-2-(3-hydroxypyridin-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948939
3-[2-(2-Fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135965932
Botryllazine B
CID 135410323
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 135862882
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 135862885
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 135862889
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 135862903
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 136194019
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 136194020
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 136194021
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 136194023

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 137279420) is 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccc(O)c(F)c3)ccc2ncn1Cc1ccccn1.
What is the InChIKey of 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GWLFUMGEVXHPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-14-9-12(4-7-17(14)25)15-5-6-16-18(23-15)19(26)24(11-22-16)10-13-3-1-2-8-21-13/h1-9,11,25H,10H2.
What are the key properties of 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 348.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-hydroxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137279420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).