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

C19H19ClN4O3S — CID 50802562

IUPAC2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccn12
InChIInChI=1S/C19H19ClN4O3S/c20-15-4-6-17(7-5-15)28(26,27)23-11-9-22(10-12-23)14-16-13-19(25)24-8-2-1-3-18(24)21-16/h1-8,13H,9-12,14H2
InChIKeyMYMISJNIQFMSDD-UHFFFAOYSA-N
MW418.91 g/mol
LogP1.85
Rot. Bonds4

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

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 50802562) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID50802562
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccn12
InChIInChI=1S/C19H19ClN4O3S/c20-15-4-6-17(7-5-15)28(26,27)23-11-9-22(10-12-23)14-16-13-19(25)24-8-2-1-3-18(24)21-16/h1-8,13H,9-12,14H2
InChIKeyMYMISJNIQFMSDD-UHFFFAOYSA-N
XLogP1.85
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 50802562) is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccn12.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MYMISJNIQFMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-15-4-6-17(7-5-15)28(26,27)23-11-9-22(10-12-23)14-16-13-19(25)24-8-2-1-3-18(24)21-16/h1-8,13H,9-12,14H2.
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 418.91 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).