2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20Cl2N4O3S — CID 42998919

IUPAC2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc(=O)n2c1
InChIInChI=1S/C20H20Cl2N4O3S/c1-14-2-5-19-23-16(11-20(27)26(19)12-14)13-24-6-8-25(9-7-24)30(28,29)18-10-15(21)3-4-17(18)22/h2-5,10-12H,6-9,13H2,1H3
InChIKeyLOBBEPJSOURHTO-UHFFFAOYSA-N
MW467.38 g/mol
LogP2.82
Rot. Bonds4

About 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 42998919) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID42998919
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC Name2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc(=O)n2c1
InChIInChI=1S/C20H20Cl2N4O3S/c1-14-2-5-19-23-16(11-20(27)26(19)12-14)13-24-6-8-25(9-7-24)30(28,29)18-10-15(21)3-4-17(18)22/h2-5,10-12H,6-9,13H2,1H3
InChIKeyLOBBEPJSOURHTO-UHFFFAOYSA-N
XLogP2.82
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[4-(Benzenesulfonyl)piperazin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 8159835
3-{2-[4-(4-Chloro-benzenesulfonyl)-piperazin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a] pyrimidin-4-one
CID 129825200
2-[[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8107263
2-[[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8517051
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42912161
7-Chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47010803
5-(3-Chloro-4-fluorobenzenesulfonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 92127844
7-[(2,5-dichlorophenyl)sulfonyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136185529
1-(Cyclopropylmethyl)-3-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094549
7-[[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2463649
2-[[4-(Benzenesulfonyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8106163
4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide
CID 18077084

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 42998919) is 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc(=O)n2c1.
What is the InChIKey of 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LOBBEPJSOURHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3S/c1-14-2-5-19-23-16(11-20(27)26(19)12-14)13-24-6-8-25(9-7-24)30(28,29)18-10-15(21)3-4-17(18)22/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 467.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42998919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).