N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

C60H53F9N14O7S — CID 158066558

About N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 158066558) has the molecular formula C60H53F9N14O7S and a molecular weight of 1285.22 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
• PubChem CID: 158066558
• Molecular Formula: C60H53F9N14O7S
• Molecular Weight: 1285.22 g/mol
• Exact Mass: 1284.38
• IUPAC Name: N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
• SMILES: CC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1.Cn1cnc2c(C#N)nc(-c3ccc(OCCNC4CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCOS(C)(=O)=O)c(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C22H20F3N5O2.C20H18F3N5O.C18H15F3N4O4S/c1-13(31)30(15-4-5-15)7-8-32-20-6-3-14(9-16(20)22(23,24)25)17-10-19-21(18(11-26)28-17)27-12-29(19)2;1-28-11-26-19-16(10-24)27-15(9-17(19)28)12-2-5-18(14(8-12)20(21,22)23)29-7-6-25-13-3-4-13;1-25-10-23-17-14(9-22)24-13(8-15(17)25)11-3-4-16(12(7-11)18(19,20)21)28-5-6-29-30(2,26)27/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3;2,5,8-9,11,13,25H,3-4,6-7H2,1H3;3-4,7-8,10H,5-6H2,1-2H3
• InChIKey: FLHKENWGSIIPJR-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 266.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.22
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?

The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 158066558) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?

The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is CC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1.Cn1cnc2c(C#N)nc(-c3ccc(OCCNC4CC4)c(C(F)(F)F)c3)cc21.Cn1cnc2c(C#N)nc(-c3ccc(OCCOS(C)(=O)=O)c(C(F)(F)F)c3)cc21.

What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?

The InChIKey is FLHKENWGSIIPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2.C20H18F3N5O.C18H15F3N4O4S/c1-13(31)30(15-4-5-15)7-8-32-20-6-3-14(9-16(20)22(23,24)25)17-10-19-21(18(11-26)28-17)27-12-29(19)2;1-28-11-26-19-16(10-24)27-15(9-17(19)28)12-2-5-18(14(8-12)20(21,22)23)29-7-6-25-13-3-4-13;1-25-10-23-17-14(9-22)24-13(8-15(17)25)11-3-4-16(12(7-11)18(19,20)21)28-5-6-29-30(2,26)27/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3;2,5,8-9,11,13,25H,3-4,6-7H2,1H3;3-4,7-8,10H,5-6H2,1-2H3.

What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 1285.22 g/mol, XLogP of 10.45, 18 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide;2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl methanesulfonate;6-[4-[2-(cyclopropylamino)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 158066558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).