3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

C96H80F15N23O8S7 — CID 158798804

About 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (PubChem CID 158798804) has the molecular formula C96H80F15N23O8S7 and a molecular weight of 2193.29 g/mol. Its IUPAC name is 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.

Molecular Properties

• Compound Name: 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
• PubChem CID: 158798804
• Molecular Formula: C96H80F15N23O8S7
• Molecular Weight: 2193.29 g/mol
• Exact Mass: 2191.44
• IUPAC Name: 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
• SMILES: CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nnc2ccccc12.CCS(=O)(=O)c1cnc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(S(=O)(=O)CC)cc2c1.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCSc1cnc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(SCC)cc2c1
• InChI: InChI=1S/C20H18F3N5O4S2.C20H18F3N5S2.C19H15F3N4O2S.C19H15F3N4S.C18H14F3N5O2S/c1-4-33(29,30)12-6-11-7-15(34(31,32)5-2)17(27-18(11)25-9-12)19-26-13-8-16(20(21,22)23)24-10-14(13)28(19)3;1-4-29-12-6-11-7-15(30-5-2)17(27-18(11)25-9-12)19-26-13-8-16(20(21,22)23)24-10-14(13)28(19)3;1-3-29(27,28)17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-27-17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-29(27,28)16-10-6-4-5-7-11(10)24-25-15(16)17-23-12-8-14(18(19,20)21)22-9-13(12)26(17)2/h6-10H,4-5H2,1-3H3;6-10H,4-5H2,1-3H3;4-10H,3H2,1-2H3;4-10H,3H2,1-2H3;4-9H,3H2,1-2H3
• InChIKey: ITFCMBVDDJZCSP-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 393.23 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.29
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The IUPAC name of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (CID 158798804) is 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.

What is the SMILES notation for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The canonical SMILES for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nnc2ccccc12.CCS(=O)(=O)c1cnc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(S(=O)(=O)CC)cc2c1.CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCSc1cnc2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(SCC)cc2c1.

What is the InChIKey of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

The InChIKey is ITFCMBVDDJZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4S2.C20H18F3N5S2.C19H15F3N4O2S.C19H15F3N4S.C18H14F3N5O2S/c1-4-33(29,30)12-6-11-7-15(34(31,32)5-2)17(27-18(11)25-9-12)19-26-13-8-16(20(21,22)23)24-10-14(13)28(19)3;1-4-29-12-6-11-7-15(30-5-2)17(27-18(11)25-9-12)19-26-13-8-16(20(21,22)23)24-10-14(13)28(19)3;1-3-29(27,28)17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-27-17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-29(27,28)16-10-6-4-5-7-11(10)24-25-15(16)17-23-12-8-14(18(19,20)21)22-9-13(12)26(17)2/h6-10H,4-5H2,1-3H3;6-10H,4-5H2,1-3H3;4-10H,3H2,1-2H3;4-10H,3H2,1-2H3;4-9H,3H2,1-2H3.

What are the key properties of 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?

3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline has a molecular weight of 2193.29 g/mol, XLogP of 21.71, 19 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is sourced from PubChem (CID 158798804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).