6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C88H85F12N19O7 — CID 159000181

About 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 159000181) has the molecular formula C88H85F12N19O7 and a molecular weight of 1748.75 g/mol. Its IUPAC name is 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
• PubChem CID: 159000181
• Molecular Formula: C88H85F12N19O7
• Molecular Weight: 1748.75 g/mol
• Exact Mass: 1747.67
• IUPAC Name: 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
• SMILES: CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.Cn1cnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCNCC4)c(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C27H30F3N5O3.C24H24F3N5O2.C22H22F3N5O.C15H9F3N4O/c1-26(2,3)38-25(36)35-10-7-17(8-11-35)9-12-37-23-6-5-18(13-19(23)27(28,29)30)20-14-22-24(21(15-31)33-20)32-16-34(22)4;1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2;1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14;1-22-7-20-14-11(6-19)21-10(5-12(14)22)8-2-3-13(23)9(4-8)15(16,17)18/h5-6,13-14,16-17H,7-12H2,1-4H3;3-4,11-12,14,16H,5-10H2,1-2H3;2-3,10-11,13-14,27H,4-9H2,1H3;2-5,7,23H,1H3
• InChIKey: JRGAXSSFHFRIIW-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 327.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.75
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The IUPAC name of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 159000181) is 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

What is the SMILES notation for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The canonical SMILES for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is CC(=O)N1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.Cn1cnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)OC(C)(C)C)CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCNCC4)c(C(F)(F)F)c3)cc21.

What is the InChIKey of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The InChIKey is JRGAXSSFHFRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O3.C24H24F3N5O2.C22H22F3N5O.C15H9F3N4O/c1-26(2,3)38-25(36)35-10-7-17(8-11-35)9-12-37-23-6-5-18(13-19(23)27(28,29)30)20-14-22-24(21(15-31)33-20)32-16-34(22)4;1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2;1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14;1-22-7-20-14-11(6-19)21-10(5-12(14)22)8-2-3-13(23)9(4-8)15(16,17)18/h5-6,13-14,16-17H,7-12H2,1-4H3;3-4,11-12,14,16H,5-10H2,1-2H3;2-3,10-11,13-14,27H,4-9H2,1H3;2-5,7,23H,1H3.

What are the key properties of 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 1748.75 g/mol, XLogP of 18.02, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;tert-butyl 4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(2-piperidin-4-ylethoxy)-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 159000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).