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

C20H15FN4O2 — CID 134810871

IUPAC6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(Cc4ccccn4)c(=O)c3n2)cc1F
InChIInChI=1S/C20H15FN4O2/c1-27-18-8-5-13(10-15(18)21)16-6-7-17-19(24-16)20(26)25(12-23-17)11-14-4-2-3-9-22-14/h2-10,12H,11H2,1H3
InChIKeyHDEZZVGWGVZKLN-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.05
Rot. Bonds4

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

6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810871) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810871
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(Cc4ccccn4)c(=O)c3n2)cc1F
InChIInChI=1S/C20H15FN4O2/c1-27-18-8-5-13(10-15(18)21)16-6-7-17-19(24-16)20(26)25(12-23-17)11-14-4-2-3-9-22-14/h2-10,12H,11H2,1H3
InChIKeyHDEZZVGWGVZKLN-UHFFFAOYSA-N
XLogP3.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810871) is 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccc(-c2ccc3ncn(Cc4ccccn4)c(=O)c3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is HDEZZVGWGVZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-27-18-8-5-13(10-15(18)21)16-6-7-17-19(24-16)20(26)25(12-23-17)11-14-4-2-3-9-22-14/h2-10,12H,11H2,1H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 362.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).