6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C74H76ClF9N16O5 — CID 161266382

About 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 161266382) has the molecular formula C74H76ClF9N16O5 and a molecular weight of 1475.96 g/mol. Its IUPAC name is 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
• PubChem CID: 161266382
• Molecular Formula: C74H76ClF9N16O5
• Molecular Weight: 1475.96 g/mol
• Exact Mass: 1474.57
• IUPAC Name: 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
• SMILES: Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)CCl)CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)CN5CCCC5)CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCNCC4)c(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C28H31F3N6O2.C24H23ClF3N5O2.C22H22F3N5O/c1-35-18-33-27-23(16-32)34-22(15-24(27)35)20-4-5-25(21(14-20)28(29,30)31)39-13-8-19-6-11-37(12-7-19)26(38)17-36-9-2-3-10-36;1-32-14-30-23-19(13-29)31-18(11-20(23)32)16-2-3-21(17(10-16)24(26,27)28)35-9-6-15-4-7-33(8-5-15)22(34)12-25;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/h4-5,14-15,18-19H,2-3,6-13,17H2,1H3;2-3,10-11,14-15H,4-9,12H2,1H3;2-3,10-11,13-14,27H,4-9H2,1H3
• InChIKey: VDFYUVLDIMJAAM-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 247.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.96
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The IUPAC name of 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 161266382) is 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

What is the SMILES notation for 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The canonical SMILES for 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)CCl)CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)CN5CCCC5)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-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

The InChIKey is VDFYUVLDIMJAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6O2.C24H23ClF3N5O2.C22H22F3N5O/c1-35-18-33-27-23(16-32)34-22(15-24(27)35)20-4-5-25(21(14-20)28(29,30)31)39-13-8-19-6-11-37(12-7-19)26(38)17-36-9-2-3-10-36;1-32-14-30-23-19(13-29)31-18(11-20(23)32)16-2-3-21(17(10-16)24(26,27)28)35-9-6-15-4-7-33(8-5-15)22(34)12-25;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/h4-5,14-15,18-19H,2-3,6-13,17H2,1H3;2-3,10-11,14-15H,4-9,12H2,1H3;2-3,10-11,13-14,27H,4-9H2,1H3.

What are the key properties of 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?

6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 1475.96 g/mol, XLogP of 13.70, 18 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[1-(2-chloroacetyl)piperidin-4-yl]ethoxy]-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;1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 161266382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).