6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine

C77H97ClN12O9S4 — CID 160901215

IUPAC6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine
SMILESCC(=O)N1CCN(c2cc(C)cc3cccn23)CC1.CC1(C)CN(c2cc(Cl)cn3cccc23)CCN1S(C)(=O)=O.Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)n2cccc2c1.Cc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cccn2c1
InChIInChI=1S/C16H23N3O2S.C16H15NO2S.C15H20ClN3O2S.C15H19N3O.C15H20N2O2S/c1-13-10-15(14-6-5-7-17(14)11-13)18-8-9-19(22(4,20)21)16(2,3)12-18;1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19;1-15(2)11-18(7-8-19(15)22(3,20)21)14-9-12(16)10-17-6-4-5-13(14)17;1-12-10-14-4-3-5-18(14)15(11-12)17-8-6-16(7-9-17)13(2)19;1-12-10-14-4-3-7-17(14)15(11-12)13-5-8-16(9-6-13)20(2,18)19/h5-7,10-11H,8-9,12H2,1-4H3;3-11H,1-2H3;4-6,9-10H,7-8,11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-4,7,10-11,13H,5-6,8-9H2,1-2H3
InChIKeySPNKZSZVQBWCGA-UHFFFAOYSA-N
MW1498.42 g/mol
LogP12.18
Rot. Bonds9

About 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine

6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine (PubChem CID 160901215) has the molecular formula C77H97ClN12O9S4 and a molecular weight of 1498.42 g/mol. Its IUPAC name is 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine.

Molecular Properties

Compound Name6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine
PubChem CID160901215
Molecular FormulaC77H97ClN12O9S4
Molecular Weight1498.42 g/mol
Exact Mass1496.61
IUPAC Name6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine
SMILESCC(=O)N1CCN(c2cc(C)cc3cccn23)CC1.CC1(C)CN(c2cc(Cl)cn3cccc23)CCN1S(C)(=O)=O.Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)n2cccc2c1.Cc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cccn2c1
InChIInChI=1S/C16H23N3O2S.C16H15NO2S.C15H20ClN3O2S.C15H19N3O.C15H20N2O2S/c1-13-10-15(14-6-5-7-17(14)11-13)18-8-9-19(22(4,20)21)16(2,3)12-18;1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19;1-15(2)11-18(7-8-19(15)22(3,20)21)14-9-12(16)10-17-6-4-5-13(14)17;1-12-10-14-4-3-5-18(14)15(11-12)17-8-6-16(7-9-17)13(2)19;1-12-10-14-4-3-7-17(14)15(11-12)13-5-8-16(9-6-13)20(2,18)19/h5-7,10-11H,8-9,12H2,1-4H3;3-11H,1-2H3;4-6,9-10H,7-8,11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-4,7,10-11,13H,5-6,8-9H2,1-2H3
InChIKeySPNKZSZVQBWCGA-UHFFFAOYSA-N
XLogP12.18
TPSA198.36 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.42
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine with MolForge

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Related Compounds

3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[6-ethylsulfonyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157138438
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;N-[2-(2,4-dichlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide
CID 157150454
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157213147
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)-6-(1,1-dioxothiazinan-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157500196
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]cyclopropanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 158511235
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-6-sulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-ethylmethanesulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]thiomorpholine;1-[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
CID 158722153
6-Chloro-8-(4-methylsulfonylpiperazin-1-yl)indolizine;6-methyl-8-(4-methylsulfonylphenyl)indolizine;6-methyl-8-(1-methylsulfonylpiperidin-4-yl)indolizine
CID 160024661
6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine;6-chloro-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine;6-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 160145442
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 160189014
6-Chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine
CID 160955659
3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)-N-ethylimidazo[1,2-a]pyridine-6-sulfonamide;1-[4-[[2-(4-chlorophenyl)-6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 161052622
[3-Chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
CID 164999026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine?
The IUPAC name of 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine (CID 160901215) is 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine.
What is the SMILES notation for 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine?
The canonical SMILES for 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine is CC(=O)N1CCN(c2cc(C)cc3cccn23)CC1.CC1(C)CN(c2cc(Cl)cn3cccc23)CCN1S(C)(=O)=O.Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)n2cccc2c1.Cc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cccn2c1.
What is the InChIKey of 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine?
The InChIKey is SPNKZSZVQBWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.C16H15NO2S.C15H20ClN3O2S.C15H19N3O.C15H20N2O2S/c1-13-10-15(14-6-5-7-17(14)11-13)18-8-9-19(22(4,20)21)16(2,3)12-18;1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19;1-15(2)11-18(7-8-19(15)22(3,20)21)14-9-12(16)10-17-6-4-5-13(14)17;1-12-10-14-4-3-5-18(14)15(11-12)17-8-6-16(7-9-17)13(2)19;1-12-10-14-4-3-7-17(14)15(11-12)13-5-8-16(9-6-13)20(2,18)19/h5-7,10-11H,8-9,12H2,1-4H3;3-11H,1-2H3;4-6,9-10H,7-8,11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-4,7,10-11,13H,5-6,8-9H2,1-2H3.
What are the key properties of 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine?
6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine has a molecular weight of 1498.42 g/mol, XLogP of 12.18, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine is sourced from PubChem (CID 160901215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).