2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile

C121H113F14N29O12 — CID 158048013

About 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile

2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile (PubChem CID 158048013) has the molecular formula C121H113F14N29O12 and a molecular weight of 2431.40 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile
• PubChem CID: 158048013
• Molecular Formula: C121H113F14N29O12
• Molecular Weight: 2431.40 g/mol
• Exact Mass: 2429.89
• IUPAC Name: 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile
• SMILES: CCOc1cccc(-c2cc(Cn3cnc(CC)n3)cnc2OC(F)F)c1.CCOc1ncc(Cn2ncnc2C(F)(F)F)cc1-c1cccc(OC(F)F)c1.COc1cccc(-c2cc(Cn3cnc(C)n3)cnc2OC(F)F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(C#N)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(OC(F)F)c1
• InChI: InChI=1S/C19H20F2N4O2.C18H15F5N4O2.3C17H16F2N4O2.C17H15N5O.C16H15FN4O/c1-3-17-23-12-25(24-17)11-13-8-16(18(22-10-13)27-19(20)21)14-6-5-7-15(9-14)26-4-2;1-2-28-15-14(12-4-3-5-13(7-12)29-17(19)20)6-11(8-24-15)9-27-16(18(21,22)23)25-10-26-27;2*1-11-21-10-23(22-11)9-12-6-15(16(24-2)20-8-12)13-4-3-5-14(7-13)25-17(18)19;1-11-21-10-23(22-11)9-12-6-15(16(20-8-12)25-17(18)19)13-4-3-5-14(7-13)24-2;1-12-20-11-22(21-12)10-14-7-16(17(23-2)19-9-14)15-5-3-4-13(6-15)8-18;1-11-19-10-21(20-11)9-12-6-15(16(22-2)18-8-12)13-4-3-5-14(17)7-13/h5-10,12,19H,3-4,11H2,1-2H3;3-8,10,17H,2,9H2,1H3;3*3-8,10,17H,9H2,1-2H3;3-7,9,11H,10H2,1-2H3;3-8,10H,9H2,1-2H3
• InChIKey: FJDLWODKVHYCFH-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 439.75 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2431.40
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile?

The IUPAC name of 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile (CID 158048013) is 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile.

What is the SMILES notation for 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile?

The canonical SMILES for 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile is CCOc1cccc(-c2cc(Cn3cnc(CC)n3)cnc2OC(F)F)c1.CCOc1ncc(Cn2ncnc2C(F)(F)F)cc1-c1cccc(OC(F)F)c1.COc1cccc(-c2cc(Cn3cnc(C)n3)cnc2OC(F)F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(C#N)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2cnc(C)n2)cc1-c1cccc(OC(F)F)c1.

What is the InChIKey of 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile?

The InChIKey is FJDLWODKVHYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2.C18H15F5N4O2.3C17H16F2N4O2.C17H15N5O.C16H15FN4O/c1-3-17-23-12-25(24-17)11-13-8-16(18(22-10-13)27-19(20)21)14-6-5-7-15(9-14)26-4-2;1-2-28-15-14(12-4-3-5-13(7-12)29-17(19)20)6-11(8-24-15)9-27-16(18(21,22)23)25-10-26-27;2*1-11-21-10-23(22-11)9-12-6-15(16(24-2)20-8-12)13-4-3-5-14(7-13)25-17(18)19;1-11-21-10-23(22-11)9-12-6-15(16(20-8-12)25-17(18)19)13-4-3-5-14(7-13)24-2;1-12-20-11-22(21-12)10-14-7-16(17(23-2)19-9-14)15-5-3-4-13(6-15)8-18;1-11-19-10-21(20-11)9-12-6-15(16(22-2)18-8-12)13-4-3-5-14(17)7-13/h5-10,12,19H,3-4,11H2,1-2H3;3-8,10,17H,2,9H2,1H3;3*3-8,10,17H,9H2,1-2H3;3-7,9,11H,10H2,1-2H3;3-8,10H,9H2,1-2H3.

What are the key properties of 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile?

2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile has a molecular weight of 2431.40 g/mol, XLogP of 23.70, 41 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-3-(3-ethoxyphenyl)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-(difluoromethoxy)-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[3-(difluoromethoxy)phenyl]-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;bis(3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-[2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 158048013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).