7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C21H17N3O4 — CID 167008811

IUPAC7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(Oc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1
InChIInChI=1S/C21H17N3O4/c1-14-11-22-19-9-7-18(13-24(19)21(14)25)27-17-8-10-20(23-12-17)28-16-5-3-15(26-2)4-6-16/h3-13H,1-2H3
InChIKeyUUOWCQAJRYOCRQ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.99
Rot. Bonds5

About 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008811) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008811
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(Oc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1
InChIInChI=1S/C21H17N3O4/c1-14-11-22-19-9-7-18(13-24(19)21(14)25)27-17-8-10-20(23-12-17)28-16-5-3-15(26-2)4-6-16/h3-13H,1-2H3
InChIKeyUUOWCQAJRYOCRQ-UHFFFAOYSA-N
XLogP3.99
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008811) is 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(Oc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1.
What is the InChIKey of 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UUOWCQAJRYOCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-11-22-19-9-7-18(13-24(19)21(14)25)27-17-8-10-20(23-12-17)28-16-5-3-15(26-2)4-6-16/h3-13H,1-2H3.
What are the key properties of 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 375.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(4-methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).