6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C21H24N4O3S — CID 9254526

IUPAC6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-16-6-8-19(9-7-16)29(27,28)24-12-10-23(11-13-24)15-18-14-21(26)25-17(2)4-3-5-20(25)22-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQRRPJNPBYZCKSJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.82
Rot. Bonds4

About 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9254526) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9254526
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-16-6-8-19(9-7-16)29(27,28)24-12-10-23(11-13-24)15-18-14-21(26)25-17(2)4-3-5-20(25)22-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQRRPJNPBYZCKSJ-UHFFFAOYSA-N
XLogP1.82
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254707
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8720923
6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 100640353
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
2-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 155497522
5-(3-fluorophenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42692229
1-(4-methylphenyl)sulfonyl-4-[(3-nitrophenyl)methyl]piperazine
CID 1364878
4-tert-butyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 3101522
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
7-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55831151
1-(4-methylphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131702

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9254526) is 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1.
What is the InChIKey of 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QRRPJNPBYZCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16-6-8-19(9-7-16)29(27,28)24-12-10-23(11-13-24)15-18-14-21(26)25-17(2)4-3-5-20(25)22-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 412.52 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9254526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).