2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide

C149H170F4N22O9 — CID 161269173

About 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide

2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (PubChem CID 161269173) has the molecular formula C149H170F4N22O9 and a molecular weight of 2489.14 g/mol. Its IUPAC name is 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.

Molecular Properties

• Compound Name: 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
• PubChem CID: 161269173
• Molecular Formula: C149H170F4N22O9
• Molecular Weight: 2489.14 g/mol
• Exact Mass: 2487.35
• IUPAC Name: 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
• SMILES: CC(C)(O)c1cccn2c(C3(c4ccc(OC(F)(F)F)cc4)CC3)nnc12.CCC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)CCCO)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)N(C)C)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)CO)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC(F)C2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
• InChI: InChI=1S/C24H29N3O2.C23H28N4O.C23H27N3O.C21H25N3O.C20H22FN3O.C19H18F3N3O2.C19H21N3O/c1-17-9-11-18(12-10-17)24(13-6-14-24)22-26-25-21-19(7-4-15-27(21)22)23(2,3)20(29)8-5-16-28;1-16-9-11-17(12-10-16)23(13-7-14-23)20-25-24-19-18(8-6-15-27(19)20)22(2,3)21(28)26(4)5;1-5-19(27)22(3,4)18-8-6-15-26-20(18)24-25-21(26)23(13-7-14-23)17-11-9-16(2)10-12-17;1-15-7-9-16(10-8-15)21(11-5-12-21)19-23-22-18-17(20(2,3)14-25)6-4-13-24(18)19;1-13-6-8-14(9-7-13)20(11-15(21)12-20)18-23-22-17-16(19(2,3)25)5-4-10-24(17)18;1-17(2,26)14-4-3-11-25-15(14)23-24-16(25)18(9-10-18)12-5-7-13(8-6-12)27-19(20,21)22;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/h4,7,9-12,15,28H,5-6,8,13-14,16H2,1-3H3;6,8-12,15H,7,13-14H2,1-5H3;6,8-12,15H,5,7,13-14H2,1-4H3;4,6-10,13,25H,5,11-12,14H2,1-3H3;4-10,15,25H,11-12H2,1-3H3;3-8,11,26H,9-10H2,1-2H3;4-9,12,23H,10-11H2,1-3H3
• InChIKey: VDOVCTGLLBFPRQ-UHFFFAOYSA-N
• XLogP: 27.51
• TPSA: 376.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2489.14
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?

The IUPAC name of 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (CID 161269173) is 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.

What is the SMILES notation for 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?

The canonical SMILES for 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is CC(C)(O)c1cccn2c(C3(c4ccc(OC(F)(F)F)cc4)CC3)nnc12.CCC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)CCCO)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)N(C)C)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)CO)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC(F)C2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.

What is the InChIKey of 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?

The InChIKey is VDOVCTGLLBFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.C23H28N4O.C23H27N3O.C21H25N3O.C20H22FN3O.C19H18F3N3O2.C19H21N3O/c1-17-9-11-18(12-10-17)24(13-6-14-24)22-26-25-21-19(7-4-15-27(21)22)23(2,3)20(29)8-5-16-28;1-16-9-11-17(12-10-16)23(13-7-14-23)20-25-24-19-18(8-6-15-27(19)20)22(2,3)21(28)26(4)5;1-5-19(27)22(3,4)18-8-6-15-26-20(18)24-25-21(26)23(13-7-14-23)17-11-9-16(2)10-12-17;1-15-7-9-16(10-8-15)21(11-5-12-21)19-23-22-18-17(20(2,3)14-25)6-4-13-24(18)19;1-13-6-8-14(9-7-13)20(11-15(21)12-20)18-23-22-17-16(19(2,3)25)5-4-10-24(17)18;1-17(2,26)14-4-3-11-25-15(14)23-24-16(25)18(9-10-18)12-5-7-13(8-6-12)27-19(20,21)22;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/h4,7,9-12,15,28H,5-6,8,13-14,16H2,1-3H3;6,8-12,15H,7,13-14H2,1-5H3;6,8-12,15H,5,7,13-14H2,1-4H3;4,6-10,13,25H,5,11-12,14H2,1-3H3;4-10,15,25H,11-12H2,1-3H3;3-8,11,26H,9-10H2,1-2H3;4-9,12,23H,10-11H2,1-3H3.

What are the key properties of 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?

2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide has a molecular weight of 2489.14 g/mol, XLogP of 27.51, 30 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-fluoro-1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;6-hydroxy-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]hexan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pentan-3-one;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;N,N,2-trimethyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 161269173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).