3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H18Cl2N4O4S — CID 43056729

IUPAC3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c(=O)n2c1
InChIInChI=1S/C20H18Cl2N4O4S/c1-13-5-6-17-23-11-14(20(28)26(17)12-13)19(27)24-7-9-25(10-8-24)31(29,30)18-15(21)3-2-4-16(18)22/h2-6,11-12H,7-10H2,1H3
InChIKeyGBLVBBUSEOSFEA-UHFFFAOYSA-N
MW481.36 g/mol
LogP2.46
Rot. Bonds3

About 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 43056729) has the molecular formula C20H18Cl2N4O4S and a molecular weight of 481.36 g/mol. Its IUPAC name is 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID43056729
Molecular FormulaC20H18Cl2N4O4S
Molecular Weight481.36 g/mol
Exact Mass480.04
IUPAC Name3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c(=O)n2c1
InChIInChI=1S/C20H18Cl2N4O4S/c1-13-5-6-17-23-11-14(20(28)26(17)12-13)19(27)24-7-9-25(10-8-24)31(29,30)18-15(21)3-2-4-16(18)22/h2-6,11-12H,7-10H2,1H3
InChIKeyGBLVBBUSEOSFEA-UHFFFAOYSA-N
XLogP2.46
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(4-Chloro-3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1-(cyclopropylmethyl)-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094534
3-{2-[4-(4-Chloro-benzenesulfonyl)-piperazin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a] pyrimidin-4-one
CID 129825200
1-(Cyclopropylmethyl)-3-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094549
3-[[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1-(cyclopropylmethyl)-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094567
7-Chloro-2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 24492002
6-[4-(2,6-Dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 26786930
2-[[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42998919
2-[[4-(3-Chlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42998920
3-[4-(2,3-Dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43056730
2-{[4-(4-Chlorobenzenesulfonyl)piperazin-1-YL]methyl}-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one
CID 50802566
2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 50802568
2-[4-(2-Chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 55476216

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 43056729) is 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)c(=O)n2c1.
What is the InChIKey of 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBLVBBUSEOSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4S/c1-13-5-6-17-23-11-14(20(28)26(17)12-13)19(27)24-7-9-25(10-8-24)31(29,30)18-15(21)3-2-4-16(18)22/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 481.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43056729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).