7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione

C70H85Cl2F3N14O7S — CID 158186944

About 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione

7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 158186944) has the molecular formula C70H85Cl2F3N14O7S and a molecular weight of 1394.51 g/mol. Its IUPAC name is 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 158186944
• Molecular Formula: C70H85Cl2F3N14O7S
• Molecular Weight: 1394.51 g/mol
• Exact Mass: 1392.58
• IUPAC Name: 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: CC(=O)N1CCN(c2cc(Cl)cn3cccc23)CC1(C)C.CC(=O)c1c(C)noc1C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.CC1(C)CN(c2cc(Cl)cc3cccn23)CCN1S(C)(=O)=O.Cc1cc(N2CCC(N3C(=O)N(C)C(C)(C)C3=O)CC2)n2cccc2c1
• InChI: InChI=1S/C20H26N4O2.C19H19F3N4O2.C16H20ClN3O.C15H20ClN3O2S/c1-14-12-16-6-5-9-23(16)17(13-14)22-10-7-15(8-11-22)24-18(25)20(2,3)21(4)19(24)26;1-11-17(12(2)27)18(28-24-11)13-3-5-25(6-4-13)16-8-14(19(20,21)22)7-15-9-23-10-26(15)16;1-12(21)20-8-7-19(11-16(20,2)3)15-9-13(17)10-18-6-4-5-14(15)18;1-15(2)11-17(7-8-19(15)22(3,20)21)14-10-12(16)9-13-5-4-6-18(13)14/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3;7-10,13H,3-6H2,1-2H3;4-6,9-10H,7-8,11H2,1-3H3;4-6,9-10H,7-8,11H2,1-3H3
• InChIKey: FZGIYWAGDGSFMJ-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 184.90 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.51
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 158186944) is 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione is CC(=O)N1CCN(c2cc(Cl)cn3cccc23)CC1(C)C.CC(=O)c1c(C)noc1C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.CC1(C)CN(c2cc(Cl)cc3cccn23)CCN1S(C)(=O)=O.Cc1cc(N2CCC(N3C(=O)N(C)C(C)(C)C3=O)CC2)n2cccc2c1.

What is the InChIKey of 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is FZGIYWAGDGSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C19H19F3N4O2.C16H20ClN3O.C15H20ClN3O2S/c1-14-12-16-6-5-9-23(16)17(13-14)22-10-7-15(8-11-22)24-18(25)20(2,3)21(4)19(24)26;1-11-17(12(2)27)18(28-24-11)13-3-5-25(6-4-13)16-8-14(19(20,21)22)7-15-9-23-10-26(15)16;1-12(21)20-8-7-19(11-16(20,2)3)15-9-13(17)10-18-6-4-5-14(15)18;1-15(2)11-17(7-8-19(15)22(3,20)21)14-10-12(16)9-13-5-4-6-18(13)14/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3;7-10,13H,3-6H2,1-2H3;4-6,9-10H,7-8,11H2,1-3H3;4-6,9-10H,7-8,11H2,1-3H3.

What are the key properties of 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione?

7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 1394.51 g/mol, XLogP of 12.62, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 158186944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).