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

C22H19N3O4 — CID 167008804

IUPAC7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1
InChIInChI=1S/C22H19N3O4/c1-15-11-23-20-9-7-19(13-25(20)22(15)26)29-18-8-10-21(24-12-18)28-14-16-3-5-17(27-2)6-4-16/h3-13H,14H2,1-2H3
InChIKeyKCPGCCPDIORUSG-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.78
Rot. Bonds6

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

7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008804) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008804
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1
InChIInChI=1S/C22H19N3O4/c1-15-11-23-20-9-7-19(13-25(20)22(15)26)29-18-8-10-21(24-12-18)28-14-16-3-5-17(27-2)6-4-16/h3-13H,14H2,1-2H3
InChIKeyKCPGCCPDIORUSG-UHFFFAOYSA-N
XLogP3.78
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008804) is 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(COc2ccc(Oc3ccc4ncc(C)c(=O)n4c3)cn2)cc1.
What is the InChIKey of 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KCPGCCPDIORUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-15-11-23-20-9-7-19(13-25(20)22(15)26)29-18-8-10-21(24-12-18)28-14-16-3-5-17(27-2)6-4-16/h3-13H,14H2,1-2H3.
What are the key properties of 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 389.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).