2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride

C141H126Cl4F15N23O9P2 — CID 158611227

About 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride

2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride (PubChem CID 158611227) has the molecular formula C141H126Cl4F15N23O9P2 and a molecular weight of 2775.44 g/mol. Its IUPAC name is 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride.

Molecular Properties

• Compound Name: 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride
• PubChem CID: 158611227
• Molecular Formula: C141H126Cl4F15N23O9P2
• Molecular Weight: 2775.44 g/mol
• Exact Mass: 2771.81
• IUPAC Name: 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride
• SMILES: C1COCCN1.CCOc1ccc(-c2cc3[nH]c(/C=C/CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(/C=C/CN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCCN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)nc3c(C#N)n2)cc1C(F)(F)F.O=CCCl.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C35H27F3N4OP.C23H24F3N5O2.C23H22F3N5O2.C19H14ClF3N4O.C18H15P.C17H12ClF3N4O.C4H9NO.C2H3ClO.ClH/c1-2-43-32-19-18-24(20-28(32)35(36,37)38)29-21-30-34(31(22-39)40-29)42-33(41-30)23-44(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;2*1-2-33-20-6-5-15(12-16(20)23(24,25)26)17-13-18-22(19(14-27)28-17)30-21(29-18)4-3-7-31-8-10-32-11-9-31;1-2-28-16-6-5-11(8-12(16)19(21,22)23)13-9-14-18(15(10-24)25-13)27-17(26-14)4-3-7-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-26-14-4-3-9(5-10(14)17(19,20)21)11-6-12-16(13(8-22)23-11)25-15(7-18)24-12;1-3-6-4-2-5-1;3-1-2-4;/h3-21H,2,23H2,1H3,(H,41,42);5-6,12-13H,2-4,7-11H2,1H3,(H,29,30);3-6,12-13H,2,7-11H2,1H3,(H,29,30);3-6,8-9H,2,7H2,1H3,(H,26,27);1-15H;3-6H,2,7H2,1H3,(H,24,25);5H,1-4H2;2H,1H2;1H/q+1;;;;;;;;/p-1/b;;2*4-3+
• InChIKey: MLTKATPIRSSTJK-FUJIPVKBSA-M
• XLogP: 26.14
• TPSA: 436.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2775.44
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride?

The IUPAC name of 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride (CID 158611227) is 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride.

What is the SMILES notation for 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride?

The canonical SMILES for 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride is C1COCCN1.CCOc1ccc(-c2cc3[nH]c(/C=C/CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(/C=C/CN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCCN4CCOCC4)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)nc3c(C#N)n2)cc1C(F)(F)F.O=CCCl.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride?

The InChIKey is MLTKATPIRSSTJK-FUJIPVKBSA-M. The full InChI is InChI=1S/C35H27F3N4OP.C23H24F3N5O2.C23H22F3N5O2.C19H14ClF3N4O.C18H15P.C17H12ClF3N4O.C4H9NO.C2H3ClO.ClH/c1-2-43-32-19-18-24(20-28(32)35(36,37)38)29-21-30-34(31(22-39)40-29)42-33(41-30)23-44(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;2*1-2-33-20-6-5-15(12-16(20)23(24,25)26)17-13-18-22(19(14-27)28-17)30-21(29-18)4-3-7-31-8-10-32-11-9-31;1-2-28-16-6-5-11(8-12(16)19(21,22)23)13-9-14-18(15(10-24)25-13)27-17(26-14)4-3-7-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-26-14-4-3-9(5-10(14)17(19,20)21)11-6-12-16(13(8-22)23-11)25-15(7-18)24-12;1-3-6-4-2-5-1;3-1-2-4;/h3-21H,2,23H2,1H3,(H,41,42);5-6,12-13H,2-4,7-11H2,1H3,(H,29,30);3-6,12-13H,2,7-11H2,1H3,(H,29,30);3-6,8-9H,2,7H2,1H3,(H,26,27);1-15H;3-6H,2,7H2,1H3,(H,24,25);5H,1-4H2;2H,1H2;1H/q+1;;;;;;;;/p-1/b;;2*4-3+;;;;;.

What are the key properties of 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride?

2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride has a molecular weight of 2775.44 g/mol, XLogP of 26.14, 34 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetaldehyde;2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-[(E)-3-chloroprop-1-enyl]-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;[4-cyano-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]methyl-triphenylphosphanium;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-(3-morpholin-4-ylpropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile;morpholine;triphenylphosphane;chloride is sourced from PubChem (CID 158611227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).