9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C27H23ClN4O3 — CID 42804928

IUPAC9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-n2nc(-c3c(C)nc4c(OCc5ccccc5Cl)cccn4c3=O)cc2C)cc1
InChIInChI=1S/C27H23ClN4O3/c1-17-15-23(30-32(17)20-10-12-21(34-3)13-11-20)25-18(2)29-26-24(9-6-14-31(26)27(25)33)35-16-19-7-4-5-8-22(19)28/h4-15H,16H2,1-3H3
InChIKeyCSIXVXIPZBZKFG-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.41
Rot. Bonds6

About 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one

9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 42804928) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID42804928
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC Name9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-n2nc(-c3c(C)nc4c(OCc5ccccc5Cl)cccn4c3=O)cc2C)cc1
InChIInChI=1S/C27H23ClN4O3/c1-17-15-23(30-32(17)20-10-12-21(34-3)13-11-20)25-18(2)29-26-24(9-6-14-31(26)27(25)33)35-16-19-7-4-5-8-22(19)28/h4-15H,16H2,1-3H3
InChIKeyCSIXVXIPZBZKFG-UHFFFAOYSA-N
XLogP5.41
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-9-[(4-methoxyphenyl)methoxy]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 42804913
3-[1-(5-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]-9-[(2,4-dichlorophenyl)methoxy]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 42804979
3-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 42804935
3-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-9-prop-2-enoxypyrido[1,2-a]pyrimidin-4-one
CID 42804957
methyl 3-[[3-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzoate
CID 42805922
N-tert-butyl-2-[3-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]oxyacetamide
CID 42804862
2-methyl-3-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-9-(2-oxo-2-pyrrolidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 42804901
ethyl 1-[2-[2-methyl-3-(5-methyl-1-phenylpyrazol-3-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]oxyacetyl]piperidine-4-carboxylate
CID 42804860
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 42804928) is 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-n2nc(-c3c(C)nc4c(OCc5ccccc5Cl)cccn4c3=O)cc2C)cc1.
What is the InChIKey of 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CSIXVXIPZBZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c1-17-15-23(30-32(17)20-10-12-21(34-3)13-11-20)25-18(2)29-26-24(9-6-14-31(26)27(25)33)35-16-19-7-4-5-8-22(19)28/h4-15H,16H2,1-3H3.
What are the key properties of 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 486.96 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chlorophenyl)methoxy]-3-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42804928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).