N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile

C156H168N28O11 — CID 158673104

About N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile

N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile (PubChem CID 158673104) has the molecular formula C156H168N28O11 and a molecular weight of 2611.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile
• PubChem CID: 158673104
• Molecular Formula: C156H168N28O11
• Molecular Weight: 2611.24 g/mol
• Exact Mass: 2609.34
• IUPAC Name: N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile
• SMILES: CC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.CC(C)(O)c1cccn2c(C3(c4ccc(CO)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(-c5ccc(C)cc5)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)NCCC#N)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)c5nnnn5CCC#N)cccn34)CCC2)cc1
• InChI: InChI=1S/C27H27N3O2.C24H26N8.C24H27N5O.2C21H23N3O2.C20H21N3O2.C19H21N3O2/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)27(15-16-27)24-29-28-23-22(6-5-17-30(23)24)26(2,3)25(31)32-4;1-17-8-10-18(11-9-17)24(12-5-13-24)22-27-26-20-19(7-4-15-31(20)22)23(2,3)21-28-29-30-32(21)16-6-14-25;1-17-8-10-18(11-9-17)24(12-5-13-24)21-28-27-20-19(7-4-16-29(20)21)23(2,3)22(30)26-15-6-14-25;2*1-14-7-9-15(10-8-14)21(11-12-21)18-23-22-17-16(6-5-13-24(17)18)20(2,3)19(25)26-4;1-13(24)14-6-8-15(9-7-14)20(10-11-20)18-22-21-17-16(19(2,3)25)5-4-12-23(17)18;1-18(2,24)15-4-3-11-22-16(15)20-21-17(22)19(9-10-19)14-7-5-13(12-23)6-8-14/h5-14,17H,15-16H2,1-4H3;4,7-11,15H,5-6,12-13,16H2,1-3H3;4,7-11,16H,5-6,12-13,15H2,1-3H3,(H,26,30);2*5-10,13H,11-12H2,1-4H3;4-9,12,25H,10-11H2,1-3H3;3-8,11,23-24H,9-10,12H2,1-2H3
• InChIKey: IEEQJDKEVNEIMP-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 488.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.24
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile?

The IUPAC name of N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile (CID 158673104) is N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile.

What is the SMILES notation for N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile?

The canonical SMILES for N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile is CC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.CC(C)(O)c1cccn2c(C3(c4ccc(CO)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(-c5ccc(C)cc5)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.COC(=O)C(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)NCCC#N)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)c5nnnn5CCC#N)cccn34)CCC2)cc1.

What is the InChIKey of N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile?

The InChIKey is IEEQJDKEVNEIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2.C24H26N8.C24H27N5O.2C21H23N3O2.C20H21N3O2.C19H21N3O2/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)27(15-16-27)24-29-28-23-22(6-5-17-30(23)24)26(2,3)25(31)32-4;1-17-8-10-18(11-9-17)24(12-5-13-24)22-27-26-20-19(7-4-15-31(20)22)23(2,3)21-28-29-30-32(21)16-6-14-25;1-17-8-10-18(11-9-17)24(12-5-13-24)21-28-27-20-19(7-4-16-29(20)21)23(2,3)22(30)26-15-6-14-25;2*1-14-7-9-15(10-8-14)21(11-12-21)18-23-22-17-16(6-5-13-24(17)18)20(2,3)19(25)26-4;1-13(24)14-6-8-15(9-7-14)20(10-11-20)18-22-21-17-16(19(2,3)25)5-4-12-23(17)18;1-18(2,24)15-4-3-11-22-16(15)20-21-17(22)19(9-10-19)14-7-5-13(12-23)6-8-14/h5-14,17H,15-16H2,1-4H3;4,7-11,15H,5-6,12-13,16H2,1-3H3;4,7-11,16H,5-6,12-13,15H2,1-3H3,(H,26,30);2*5-10,13H,11-12H2,1-4H3;4-9,12,25H,10-11H2,1-3H3;3-8,11,23-24H,9-10,12H2,1-2H3.

What are the key properties of N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile?

N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile has a molecular weight of 2611.24 g/mol, XLogP of 25.69, 33 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile is sourced from PubChem (CID 158673104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).