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

C20H18Cl2N4O4S — CID 43056730

IUPAC3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)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)16-4-2-3-15(21)18(16)22/h2-6,11-12H,7-10H2,1H3
InChIKeyDTUKZDVAVIUWPD-UHFFFAOYSA-N
MW481.36 g/mol
LogP2.46
Rot. Bonds3

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

3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 43056730) has the molecular formula C20H18Cl2N4O4S and a molecular weight of 481.36 g/mol. Its IUPAC name is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID43056730
Molecular FormulaC20H18Cl2N4O4S
Molecular Weight481.36 g/mol
Exact Mass480.04
IUPAC Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)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)16-4-2-3-15(21)18(16)22/h2-6,11-12H,7-10H2,1H3
InChIKeyDTUKZDVAVIUWPD-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

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Related Compounds

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
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-(2,6-Dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43056729
2-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 55475685
2-[4-(2-Chlorophenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 55476216
3-[4-(2,3-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424049
3-[4-(2,3-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethylpyrazin-2-one
CID 133447005
1-(Cyclopropylmethyl)-3-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-hydroxypyrido[1,2-a]pyrimidin-1-ium-4-one
CID 169094550

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 43056730) is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)c(=O)n2c1.
What is the InChIKey of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DTUKZDVAVIUWPD-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)16-4-2-3-15(21)18(16)22/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(2,3-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-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43056730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).