8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol

C132H125F11N26O7 — CID 158889210

About 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol

8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol (PubChem CID 158889210) has the molecular formula C132H125F11N26O7 and a molecular weight of 2396.60 g/mol. Its IUPAC name is 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol
• PubChem CID: 158889210
• Molecular Formula: C132H125F11N26O7
• Molecular Weight: 2396.60 g/mol
• Exact Mass: 2395.00
• IUPAC Name: 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol
• SMILES: COc1cccc(F)c1CCc1ccc(-c2c(C)nn(C3CC3)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2c(C)nn(CC(C)O)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cc(F)ncc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(C(F)F)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(CF)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(F)c2C)c2nncn12
• InChI: InChI=1S/C23H26FN5O2.C23H24FN5O.C22H19F3N4O.C22H20F2N4O.2C21H18F2N4O/c1-14(30)12-29-16(3)22(15(2)27-29)19-11-9-17(28-13-25-26-23(19)28)8-10-18-20(24)6-5-7-21(18)31-4;1-14-22(15(2)29(27-14)17-7-8-17)19-12-10-16(28-13-25-26-23(19)28)9-11-18-20(24)5-4-6-21(18)30-3;1-13-15(10-11-26-20(13)21(24)25)16-8-6-14(29-12-27-28-22(16)29)7-9-17-18(23)4-3-5-19(17)30-2;1-14-16(10-11-25-20(14)12-23)17-8-6-15(28-13-26-27-22(17)28)7-9-18-19(24)4-3-5-21(18)29-2;1-13-11-24-20(23)10-17(13)15-8-6-14(27-12-25-26-21(15)27)7-9-16-18(22)4-3-5-19(16)28-2;1-13-15(10-11-24-20(13)23)16-8-6-14(27-12-25-26-21(16)27)7-9-17-18(22)4-3-5-19(17)28-2/h5-7,9,11,13-14,30H,8,10,12H2,1-4H3;4-6,10,12-13,17H,7-9,11H2,1-3H3;3-6,8,10-12,21H,7,9H2,1-2H3;3-6,8,10-11,13H,7,9,12H2,1-2H3;2*3-6,8,10-12H,7,9H2,1-2H3
• InChIKey: JDZZCGVAROPIRA-UHFFFAOYSA-N
• XLogP: 25.82
• TPSA: 343.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.60
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol?

The IUPAC name of 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol (CID 158889210) is 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol.

What is the SMILES notation for 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol?

The canonical SMILES for 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol is COc1cccc(F)c1CCc1ccc(-c2c(C)nn(C3CC3)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2c(C)nn(CC(C)O)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cc(F)ncc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(C(F)F)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(CF)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(F)c2C)c2nncn12.

What is the InChIKey of 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol?

The InChIKey is JDZZCGVAROPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.C23H24FN5O.C22H19F3N4O.C22H20F2N4O.2C21H18F2N4O/c1-14(30)12-29-16(3)22(15(2)27-29)19-11-9-17(28-13-25-26-23(19)28)8-10-18-20(24)6-5-7-21(18)31-4;1-14-22(15(2)29(27-14)17-7-8-17)19-12-10-16(28-13-25-26-23(19)28)9-11-18-20(24)5-4-6-21(18)30-3;1-13-15(10-11-26-20(13)21(24)25)16-8-6-14(29-12-27-28-22(16)29)7-9-17-18(23)4-3-5-19(17)30-2;1-14-16(10-11-25-20(14)12-23)17-8-6-15(28-13-26-27-22(17)28)7-9-18-19(24)4-3-5-21(18)29-2;1-13-11-24-20(23)10-17(13)15-8-6-14(27-12-25-26-21(15)27)7-9-16-18(22)4-3-5-19(16)28-2;1-13-15(10-11-24-20(13)23)16-8-6-14(27-12-25-26-21(16)27)7-9-17-18(22)4-3-5-19(17)28-2/h5-7,9,11,13-14,30H,8,10,12H2,1-4H3;4-6,10,12-13,17H,7-9,11H2,1-3H3;3-6,8,10-12,21H,7,9H2,1-2H3;3-6,8,10-11,13H,7,9,12H2,1-2H3;2*3-6,8,10-12H,7,9H2,1-2H3.

What are the key properties of 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol?

8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol has a molecular weight of 2396.60 g/mol, XLogP of 25.82, 35 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-methyl-4-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-3-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-5-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 158889210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).