6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

C21H20N6O5S — CID 25325089

IUPAC6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)CC3)cn12
InChIInChI=1S/C21H20N6O5S/c1-13-3-2-4-18-22-17(12-27(13)18)21(30)25-7-9-26(10-8-25)33(31,32)14-5-6-15-16(11-14)24-20(29)19(28)23-15/h2-6,11-12H,7-10H2,1H3,(H,23,28)(H,24,29)
InChIKeyYWQQOXZGDYNFDY-UHFFFAOYSA-N
MW468.50 g/mol
LogP0.32
Rot. Bonds3

About 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 25325089) has the molecular formula C21H20N6O5S and a molecular weight of 468.50 g/mol. Its IUPAC name is 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID25325089
Molecular FormulaC21H20N6O5S
Molecular Weight468.50 g/mol
Exact Mass468.12
IUPAC Name6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)CC3)cn12
InChIInChI=1S/C21H20N6O5S/c1-13-3-2-4-18-22-17(12-27(13)18)21(30)25-7-9-26(10-8-25)33(31,32)14-5-6-15-16(11-14)24-20(29)19(28)23-15/h2-6,11-12H,7-10H2,1H3,(H,23,28)(H,24,29)
InChIKeyYWQQOXZGDYNFDY-UHFFFAOYSA-N
XLogP0.32
TPSA140.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 26202304
5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55395152
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
CID 62897584
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 60527755
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 166185922
5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119274754
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110108328
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 38208820
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 37280226
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 36723786
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione (CID 25325089) is 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)CC3)cn12.
What is the InChIKey of 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is YWQQOXZGDYNFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O5S/c1-13-3-2-4-18-22-17(12-27(13)18)21(30)25-7-9-26(10-8-25)33(31,32)14-5-6-15-16(11-14)24-20(29)19(28)23-15/h2-6,11-12H,7-10H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 468.50 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 25325089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).