1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one

C23H26N4O4S — CID 147705178

IUPAC1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCS(C)(=O)=O)CC2=O)cc1-c1nc2ccccn2c1C
InChIInChI=1S/C23H26N4O4S/c1-16-7-8-18(14-19(16)23-17(2)26-10-5-4-6-20(26)24-23)27-12-11-25(15-22(27)29)21(28)9-13-32(3,30)31/h4-8,10,14H,9,11-13,15H2,1-3H3
InChIKeyGTQCDIIWCPXRAJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one

1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one (PubChem CID 147705178) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one
PubChem CID147705178
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCS(C)(=O)=O)CC2=O)cc1-c1nc2ccccn2c1C
InChIInChI=1S/C23H26N4O4S/c1-16-7-8-18(14-19(16)23-17(2)26-10-5-4-6-20(26)24-23)27-12-11-25(15-22(27)29)21(28)9-13-32(3,30)31/h4-8,10,14H,9,11-13,15H2,1-3H3
InChIKeyGTQCDIIWCPXRAJ-UHFFFAOYSA-N
XLogP2.23
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The IUPAC name of 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one (CID 147705178) is 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)CCS(C)(=O)=O)CC2=O)cc1-c1nc2ccccn2c1C.
What is the InChIKey of 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
The InChIKey is GTQCDIIWCPXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-7-8-18(14-19(16)23-17(2)26-10-5-4-6-20(26)24-23)27-12-11-25(15-22(27)29)21(28)9-13-32(3,30)31/h4-8,10,14H,9,11-13,15H2,1-3H3.
What are the key properties of 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one?
1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one has a molecular weight of 454.55 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(3-methylsulfonylpropanoyl)piperazin-2-one is sourced from PubChem (CID 147705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).