methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol

C116H124N18O6 — CID 158101658

About methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol

methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol (PubChem CID 158101658) has the molecular formula C116H124N18O6 and a molecular weight of 1866.39 g/mol. Its IUPAC name is methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol.

Molecular Properties

• Compound Name: methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
• PubChem CID: 158101658
• Molecular Formula: C116H124N18O6
• Molecular Weight: 1866.39 g/mol
• Exact Mass: 1865.00
• IUPAC Name: methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
• SMILES: C=C(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C5(O)CCC5)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(CCCO)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(CO)cccn34)CC2)cc1
• InChI: InChI=1S/C22H25N3O2.C20H21N3O.2C19H21N3O.C19H19N3.C17H17N3O/c1-15-8-10-16(11-9-15)22(12-6-13-22)19-24-23-18-17(7-5-14-25(18)19)21(2,3)20(26)27-4;1-14-5-7-15(8-6-14)19(11-12-19)18-22-21-17-16(4-2-13-23(17)18)20(24)9-3-10-20;1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17;1-14-6-8-16(9-7-14)19(10-11-19)18-21-20-17-15(5-3-13-23)4-2-12-22(17)18;1-13(2)16-5-4-12-22-17(16)20-21-18(22)19(10-11-19)15-8-6-14(3)7-9-15;1-12-4-6-14(7-5-12)17(8-9-17)16-19-18-15-13(11-21)3-2-10-20(15)16/h5,7-11,14H,6,12-13H2,1-4H3;2,4-8,13,24H,3,9-12H2,1H3;4-9,12,23H,10-11H2,1-3H3;2,4,6-9,12,23H,3,5,10-11,13H2,1H3;4-9,12H,1,10-11H2,2-3H3;2-7,10,21H,8-9,11H2,1H3
• InChIKey: FPIKRIGMJJEPAL-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 288.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.39
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?

The IUPAC name of methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol (CID 158101658) is methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol.

What is the SMILES notation for methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?

The canonical SMILES for methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol is C=C(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C5(O)CCC5)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(CCCO)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(CO)cccn34)CC2)cc1.

What is the InChIKey of methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?

The InChIKey is FPIKRIGMJJEPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C20H21N3O.2C19H21N3O.C19H19N3.C17H17N3O/c1-15-8-10-16(11-9-15)22(12-6-13-22)19-24-23-18-17(7-5-14-25(18)19)21(2,3)20(26)27-4;1-14-5-7-15(8-6-14)19(11-12-19)18-22-21-17-16(4-2-13-23(17)18)20(24)9-3-10-20;1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17;1-14-6-8-16(9-7-14)19(10-11-19)18-21-20-17-15(5-3-13-23)4-2-12-22(17)18;1-13(2)16-5-4-12-22-17(16)20-21-18(22)19(10-11-19)15-8-6-14(3)7-9-15;1-12-4-6-14(7-5-12)17(8-9-17)16-19-18-15-13(11-21)3-2-10-20(15)16/h5,7-11,14H,6,12-13H2,1-4H3;2,4-8,13,24H,3,9-12H2,1H3;4-9,12,23H,10-11H2,1-3H3;2,4,6-9,12,23H,3,5,10-11,13H2,1H3;4-9,12H,1,10-11H2,2-3H3;2-7,10,21H,8-9,11H2,1H3.

What are the key properties of methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?

methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol has a molecular weight of 1866.39 g/mol, XLogP of 20.60, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol is sourced from PubChem (CID 158101658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).