6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

C109H77Cl2F21N26O12S6 — CID 159955842

About 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (PubChem CID 159955842) has the molecular formula C109H77Cl2F21N26O12S6 and a molecular weight of 2605.25 g/mol. Its IUPAC name is 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.

Molecular Properties

• Compound Name: 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
• PubChem CID: 159955842
• Molecular Formula: C109H77Cl2F21N26O12S6
• Molecular Weight: 2605.25 g/mol
• Exact Mass: 2602.36
• IUPAC Name: 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
• SMILES: CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2cc(C(F)(F)F)ccc12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)ncc2ccccc12.CCS(=O)(=O)c1cc2cc(Cl)ccc2nc1-c1cn2cc(C(F)(F)F)ncc2n1.CCS(=O)(=O)c1cc2ccc(Cl)cc2nc1-c1cn2cc(C(F)(F)F)ncc2n1.Cn1c(-c2ncc3ccccc3c2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21.Cn1c(-c2ncc3ccccc3c2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21
• InChI: InChI=1S/C20H14F6N4O2S.2C18H12ClF3N4O2S.C18H14F3N5O2S.C18H13F3N4O2S.C17H12F3N5O2S/c1-3-33(31,32)16-13-5-4-11(19(21,22)23)6-10(13)8-27-15(16)18-29-14-7-12(20(24,25)26)9-28-17(14)30(18)2;1-2-29(27,28)14-6-10-5-11(19)3-4-12(10)25-17(14)13-8-26-9-15(18(20,21)22)23-7-16(26)24-13;1-2-29(27,28)14-5-10-3-4-11(19)6-12(10)25-17(14)13-8-26-9-15(18(20,21)22)23-7-16(26)24-13;1-3-29(27,28)15-11-7-5-4-6-10(11)9-22-14(15)17-23-12-8-13(18(19,20)21)24-25-16(12)26(17)2;1-25-13-9-22-14(18(19,20)21)7-12(13)24-17(25)15-16(28(2,26)27)11-6-4-3-5-10(11)8-23-15;1-25-15-11(7-12(23-24-15)17(18,19)20)22-16(25)13-14(28(2,26)27)10-6-4-3-5-9(10)8-21-13/h4-9H,3H2,1-2H3;2*3-9H,2H2,1H3;4-9H,3H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3
• InChIKey: OCRXBRKBMFYIRV-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 491.18 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.25
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The IUPAC name of 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (CID 159955842) is 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.

What is the SMILES notation for 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The canonical SMILES for 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2cc(C(F)(F)F)ccc12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)nnc3n2C)ncc2ccccc12.CCS(=O)(=O)c1cc2cc(Cl)ccc2nc1-c1cn2cc(C(F)(F)F)ncc2n1.CCS(=O)(=O)c1cc2ccc(Cl)cc2nc1-c1cn2cc(C(F)(F)F)ncc2n1.Cn1c(-c2ncc3ccccc3c2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21.Cn1c(-c2ncc3ccccc3c2S(C)(=O)=O)nc2cc(C(F)(F)F)nnc21.

What is the InChIKey of 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The InChIKey is OCRXBRKBMFYIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O2S.2C18H12ClF3N4O2S.C18H14F3N5O2S.C18H13F3N4O2S.C17H12F3N5O2S/c1-3-33(31,32)16-13-5-4-11(19(21,22)23)6-10(13)8-27-15(16)18-29-14-7-12(20(24,25)26)9-28-17(14)30(18)2;1-2-29(27,28)14-6-10-5-11(19)3-4-12(10)25-17(14)13-8-26-9-15(18(20,21)22)23-7-16(26)24-13;1-2-29(27,28)14-5-10-3-4-11(19)6-12(10)25-17(14)13-8-26-9-15(18(20,21)22)23-7-16(26)24-13;1-3-29(27,28)15-11-7-5-4-6-10(11)9-22-14(15)17-23-12-8-13(18(19,20)21)24-25-16(12)26(17)2;1-25-13-9-22-14(18(19,20)21)7-12(13)24-17(25)15-16(28(2,26)27)11-6-4-3-5-10(11)8-23-15;1-25-15-11(7-12(23-24-15)17(18,19)20)22-16(25)13-14(28(2,26)27)10-6-4-3-5-9(10)8-21-13/h4-9H,3H2,1-2H3;2*3-9H,2H2,1H3;4-9H,3H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3.

What are the key properties of 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline has a molecular weight of 2605.25 g/mol, XLogP of 23.83, 16 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;7-chloro-3-ethylsulfonyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-2-yl]quinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-7-(trifluoromethyl)isoquinoline;4-ethylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]isoquinoline;4-methylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is sourced from PubChem (CID 159955842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).