4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide

C22H26N6O5S — CID 3435912

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H26N6O5S/c1-25-17-8-9-18(24-21(17)26(2)22(25)31)23-19(29)10-11-20(30)27-12-14-28(15-13-27)34(32,33)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,23,24,29)
InChIKeyUCEQOMZKVSPHBD-UHFFFAOYSA-N
MW486.55 g/mol
LogP0.52
Rot. Bonds6

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide (PubChem CID 3435912) has the molecular formula C22H26N6O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
PubChem CID3435912
Molecular FormulaC22H26N6O5S
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
SMILESCn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H26N6O5S/c1-25-17-8-9-18(24-21(17)26(2)22(25)31)23-19(29)10-11-20(30)27-12-14-28(15-13-27)34(32,33)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,23,24,29)
InChIKeyUCEQOMZKVSPHBD-UHFFFAOYSA-N
XLogP0.52
TPSA126.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide 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

N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-4-oxobutanamide
CID 55508158
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
CID 139010316
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 26589786
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)-4-oxobutanamide
CID 26577423
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 5191877
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 26500148
5-(4-butanoylpiperazin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 19259560
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione
CID 42910150
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxobutanamide
CID 55948679
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-4-oxobutanamide
CID 97332694
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-oxobutanamide
CID 97332697

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide (CID 3435912) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide is Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide?
The InChIKey is UCEQOMZKVSPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5S/c1-25-17-8-9-18(24-21(17)26(2)22(25)31)23-19(29)10-11-20(30)27-12-14-28(15-13-27)34(32,33)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,23,24,29).
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide?
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide has a molecular weight of 486.55 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide is sourced from PubChem (CID 3435912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).