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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Related Compounds

2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
7-methyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95354290
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-tert-butylpyrazole-4-carboxylate
CID 47069439
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
1-(2,5-dimethoxyphenyl)-3-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356639
1-(3,5-dimethoxyphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356557
2-[(2,4-dichlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 7678957
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(4-chlorophenoxy)propanoate
CID 8520550

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).