2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H18N4O2 — CID 166333345

IUPAC2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cnn(Cc3cc(=O)n4cc(C)ccc4n3)c2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-3-8-19-22-17(9-20(25)24(19)11-14)13-23-12-16(10-21-23)15-4-6-18(26-2)7-5-15/h3-12H,13H2,1-2H3
InChIKeyZSAJEAGVFNWOBX-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.92
Rot. Bonds4

About 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 166333345) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID166333345
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cnn(Cc3cc(=O)n4cc(C)ccc4n3)c2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-3-8-19-22-17(9-20(25)24(19)11-14)13-23-12-16(10-21-23)15-4-6-18(26-2)7-5-15/h3-12H,13H2,1-2H3
InChIKeyZSAJEAGVFNWOBX-UHFFFAOYSA-N
XLogP2.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 166333345) is 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cnn(Cc3cc(=O)n4cc(C)ccc4n3)c2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZSAJEAGVFNWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-3-8-19-22-17(9-20(25)24(19)11-14)13-23-12-16(10-21-23)15-4-6-18(26-2)7-5-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)pyrazol-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166333345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).