7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C23H21N3O5 — CID 167008809

IUPAC7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2OC)cc1
InChIInChI=1S/C23H21N3O5/c1-15-11-24-21-9-8-18(13-26(21)23(15)27)31-19-10-20(29-3)22(25-12-19)30-14-16-4-6-17(28-2)7-5-16/h4-13H,14H2,1-3H3
InChIKeyCHAPDKVTNYYRBK-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.79
Rot. Bonds7

About 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008809) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008809
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2OC)cc1
InChIInChI=1S/C23H21N3O5/c1-15-11-24-21-9-8-18(13-26(21)23(15)27)31-19-10-20(29-3)22(25-12-19)30-14-16-4-6-17(28-2)7-5-16/h4-13H,14H2,1-3H3
InChIKeyCHAPDKVTNYYRBK-UHFFFAOYSA-N
XLogP3.79
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-[[6-[[4-(2,2-Difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008803
7-[[6-[(4-Cyclopropyl-3-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008805
7-[[6-[(4-Fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008807
7-[[6-[(3-Chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008813
7-[[6-[(4-Cyclopropylphenyl)methoxy]-5-(fluoromethoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008815
7-[[6-[(4-Cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008816
7-[[6-[[4-(2-Fluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008819
7-[[5-Fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008881
Csf1R-IN-8
CID 164517047
7-((6-((4-cyclopropylbenzyl)oxy)-S-ethoxypyridin-3-yl)oxy)-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 167008802
7-[[6-[(4-Methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008804
7-[[6-(4-Methoxyphenoxy)-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 167008811

Frequently Asked Questions

What is the IUPAC name of 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008809) is 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2OC)cc1.
What is the InChIKey of 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CHAPDKVTNYYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15-11-24-21-9-8-18(13-26(21)23(15)27)31-19-10-20(29-3)22(25-12-19)30-14-16-4-6-17(28-2)7-5-16/h4-13H,14H2,1-3H3.
What are the key properties of 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 419.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-methoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).