1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C149H167F22N33O8 — CID 158118822

About 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 158118822) has the molecular formula C149H167F22N33O8 and a molecular weight of 2966.15 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
• PubChem CID: 158118822
• Molecular Formula: C149H167F22N33O8
• Molecular Weight: 2966.15 g/mol
• Exact Mass: 2964.33
• IUPAC Name: 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
• SMILES: COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3nccc4c3n2CCC4)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2CCF)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2CCO)CC1
• InChI: InChI=1S/C22H24F3N5O.2C22H25F3N4O.C21H23F4N5O.C21H24F3N5O2.C21H24F3N5O.C20H22F3N5O/c1-31-17-11-16(22(23,24)25)12-27-19(17)14-5-9-29(10-6-14)13-18-28-21-20-15(4-7-26-21)3-2-8-30(18)20;2*1-14-12-29(13-20-27-21-18(28(20)2)5-4-9-26-21)10-8-16(14)17-7-6-15(22(23,24)25)11-19(17)30-3;1-31-17-11-15(21(23,24)25)12-27-19(17)14-4-8-29(9-5-14)13-18-28-20-16(3-2-7-26-20)30(18)10-6-22;1-31-17-11-15(21(22,23)24)12-26-19(17)14-4-7-28(8-5-14)13-18-27-20-16(3-2-6-25-20)29(18)9-10-30;1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24;1-27-15-4-3-7-24-19(15)26-17(27)12-28-8-5-13(6-9-28)18-16(29-2)10-14(11-25-18)20(21,22)23/h4,7,11-12,14H,2-3,5-6,8-10,13H2,1H3;2*4-7,9,11,14,16H,8,10,12-13H2,1-3H3;2-3,7,11-12,14H,4-6,8-10,13H2,1H3;2-3,6,11-12,14,30H,4-5,7-10,13H2,1H3;4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3;3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3
• InChIKey: FRIVMNJSZZTYRU-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 386.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2966.15
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The IUPAC name of 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 158118822) is 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

What is the SMILES notation for 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The canonical SMILES for 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3nccc4c3n2CCC4)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2CCF)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2CCO)CC1.

What is the InChIKey of 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

The InChIKey is FRIVMNJSZZTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O.2C22H25F3N4O.C21H23F4N5O.C21H24F3N5O2.C21H24F3N5O.C20H22F3N5O/c1-31-17-11-16(22(23,24)25)12-27-19(17)14-5-9-29(10-6-14)13-18-28-21-20-15(4-7-26-21)3-2-8-30(18)20;2*1-14-12-29(13-20-27-21-18(28(20)2)5-4-9-26-21)10-8-16(14)17-7-6-15(22(23,24)25)11-19(17)30-3;1-31-17-11-15(21(23,24)25)12-27-19(17)14-4-8-29(9-5-14)13-18-28-20-16(3-2-7-26-20)30(18)10-6-22;1-31-17-11-15(21(22,23)24)12-26-19(17)14-4-7-28(8-5-14)13-18-27-20-16(3-2-6-25-20)29(18)9-10-30;1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24;1-27-15-4-3-7-24-19(15)26-17(27)12-28-8-5-13(6-9-28)18-16(29-2)10-14(11-25-18)20(21,22)23/h4,7,11-12,14H,2-3,5-6,8-10,13H2,1H3;2*4-7,9,11,14,16H,8,10,12-13H2,1-3H3;2-3,7,11-12,14H,4-6,8-10,13H2,1H3;2-3,6,11-12,14,30H,4-5,7-10,13H2,1H3;4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3;3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3.

What are the key properties of 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?

1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 2966.15 g/mol, XLogP of 28.64, 32 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine;bis(2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine);2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridin-1-yl]ethanol;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 158118822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).