2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine

C65H75Cl2F9N14O6 — CID 160564516

About 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine

2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine (PubChem CID 160564516) has the molecular formula C65H75Cl2F9N14O6 and a molecular weight of 1390.29 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine
• PubChem CID: 160564516
• Molecular Formula: C65H75Cl2F9N14O6
• Molecular Weight: 1390.29 g/mol
• Exact Mass: 1388.52
• IUPAC Name: 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine
• SMILES: CC(C)CN.CCOC(CCl)(OCC)OCC.CCOc1ccc(-c2cc(N)c(N)c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CNCC(C)C)nc3c(C#N)n2)cc1C(F)(F)F
• InChI: InChI=1S/C21H22F3N5O.C17H12ClF3N4O.C15H13F3N4O.C8H17ClO3.C4H11N/c1-4-30-18-6-5-13(7-14(18)21(22,23)24)15-8-16-20(17(9-25)27-15)29-19(28-16)11-26-10-12(2)3;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;1-2-23-13-4-3-8(5-9(13)15(16,17)18)11-6-10(20)14(21)12(7-19)22-11;1-4-10-8(7-9,11-5-2)12-6-3;1-4(2)3-5/h5-8,12,26H,4,10-11H2,1-3H3,(H,28,29);3-6H,2,7H2,1H3,(H,24,25);3-6H,2,21H2,1H3,(H2,20,22);4-7H2,1-3H3;4H,3,5H2,1-2H3
• InChIKey: QZTASWJLJZRCAA-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 312.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1390.29
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine?

The IUPAC name of 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine (CID 160564516) is 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine.

What is the SMILES notation for 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine?

The canonical SMILES for 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine is CC(C)CN.CCOC(CCl)(OCC)OCC.CCOc1ccc(-c2cc(N)c(N)c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CCl)nc3c(C#N)n2)cc1C(F)(F)F.CCOc1ccc(-c2cc3[nH]c(CNCC(C)C)nc3c(C#N)n2)cc1C(F)(F)F.

What is the InChIKey of 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine?

The InChIKey is QZTASWJLJZRCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O.C17H12ClF3N4O.C15H13F3N4O.C8H17ClO3.C4H11N/c1-4-30-18-6-5-13(7-14(18)21(22,23)24)15-8-16-20(17(9-25)27-15)29-19(28-16)11-26-10-12(2)3;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;1-2-23-13-4-3-8(5-9(13)15(16,17)18)11-6-10(20)14(21)12(7-19)22-11;1-4-10-8(7-9,11-5-2)12-6-3;1-4(2)3-5/h5-8,12,26H,4,10-11H2,1-3H3,(H,28,29);3-6H,2,7H2,1H3,(H,24,25);3-6H,2,21H2,1H3,(H2,20,22);4-7H2,1-3H3;4H,3,5H2,1-2H3.

What are the key properties of 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine?

2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine has a molecular weight of 1390.29 g/mol, XLogP of 15.10, 22 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-chloro-1,1,1-triethoxyethane;3,4-diamino-6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile;6-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-[(2-methylpropylamino)methyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile;2-methylpropan-1-amine is sourced from PubChem (CID 160564516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).