N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C136H140N24O10 — CID 159894045

About N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 159894045) has the molecular formula C136H140N24O10 and a molecular weight of 2270.77 g/mol. Its IUPAC name is N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

• Compound Name: N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 159894045
• Molecular Formula: C136H140N24O10
• Molecular Weight: 2270.77 g/mol
• Exact Mass: 2269.12
• IUPAC Name: N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: C#CCCNC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.CC(C)(O)c1cccn2c(C3(c4ccc(-c5nnnn5CCC#N)cc4)CC3)nnc12.Cc1ccc(-c2ccc(C(C)(C)c3nnc4c(C(C)(C)O)cccn34)cc2)cc1.Cc1ccc(-c2ccc(C3(c4nnc5c(C(C)(C)C(=O)O)cccn45)CC3)cc2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)O)cccn34)CC2)cc1
• InChI: InChI=1S/C26H25N3O2.C25H27N3O.C23H24N4O2.C22H22N8O.2C20H21N3O2/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)26(14-15-26)23-28-27-22-21(5-4-16-29(22)23)25(2,3)24(30)31;1-17-8-10-18(11-9-17)19-12-14-20(15-13-19)24(2,3)23-27-26-22-21(25(4,5)29)7-6-16-28(22)23;1-4-5-14-24-20(28)16-8-10-17(11-9-16)23(12-13-23)21-26-25-19-18(22(2,3)29)7-6-15-27(19)21;1-21(2,31)17-5-3-13-29-19(17)24-26-20(29)22(10-11-22)16-8-6-15(7-9-16)18-25-27-28-30(18)14-4-12-23;2*1-13-6-8-14(9-7-13)20(10-11-20)17-22-21-16-15(5-4-12-23(16)17)19(2,3)18(24)25/h4-13,16H,14-15H2,1-3H3,(H,30,31);6-16,29H,1-5H3;1,6-11,15,29H,5,12-14H2,2-3H3,(H,24,28);3,5-9,13,31H,4,10-11,14H2,1-2H3;2*4-9,12H,10-11H2,1-3H3,(H,24,25)
• InChIKey: NVCRRNJVXRTZCD-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 450.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.77
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The IUPAC name of N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 159894045) is N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

What is the SMILES notation for N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The canonical SMILES for N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is C#CCCNC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.CC(C)(O)c1cccn2c(C3(c4ccc(-c5nnnn5CCC#N)cc4)CC3)nnc12.Cc1ccc(-c2ccc(C(C)(C)c3nnc4c(C(C)(C)O)cccn34)cc2)cc1.Cc1ccc(-c2ccc(C3(c4nnc5c(C(C)(C)C(=O)O)cccn45)CC3)cc2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)C(=O)O)cccn34)CC2)cc1.

What is the InChIKey of N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is NVCRRNJVXRTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2.C25H27N3O.C23H24N4O2.C22H22N8O.2C20H21N3O2/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)26(14-15-26)23-28-27-22-21(5-4-16-29(22)23)25(2,3)24(30)31;1-17-8-10-18(11-9-17)19-12-14-20(15-13-19)24(2,3)23-27-26-22-21(25(4,5)29)7-6-16-28(22)23;1-4-5-14-24-20(28)16-8-10-17(11-9-16)23(12-13-23)21-26-25-19-18(22(2,3)29)7-6-15-27(19)21;1-21(2,31)17-5-3-13-29-19(17)24-26-20(29)22(10-11-22)16-8-6-15(7-9-16)18-25-27-28-30(18)14-4-12-23;2*1-13-6-8-14(9-7-13)20(10-11-20)17-22-21-16-15(5-4-12-23(16)17)19(2,3)18(24)25/h4-13,16H,14-15H2,1-3H3,(H,30,31);6-16,29H,1-5H3;1,6-11,15,29H,5,12-14H2,2-3H3,(H,24,28);3,5-9,13,31H,4,10-11,14H2,1-2H3;2*4-9,12H,10-11H2,1-3H3,(H,24,25).

What are the key properties of N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 2270.77 g/mol, XLogP of 22.76, 29 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-3-ynyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide;3-[5-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]tetrazol-1-yl]propanenitrile;bis(2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid);2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoic acid;2-[3-[2-[4-(4-methylphenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 159894045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).