2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C106H92F4N36O10 — CID 159979047

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 159979047) has the molecular formula C106H92F4N36O10 and a molecular weight of 2106.14 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• PubChem CID: 159979047
• Molecular Formula: C106H92F4N36O10
• Molecular Weight: 2106.14 g/mol
• Exact Mass: 2104.77
• IUPAC Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
• SMILES: COc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.COc1ccccc1C1CC1C(=O)CC1=NN=C(c2ccccn2)C1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCC1=CCc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2cccc(F)c2)n1
• InChI: InChI=1S/C20H19N3O2.C19H17N5O.C17H14F3N9O.C17H12FN7O.C17H17N5O3.C16H13N7O2/c1-25-20-8-3-2-6-14(20)15-12-16(15)19(24)11-13-10-18(23-22-13)17-7-4-5-9-21-17;25-17(11-10-14-9-8-13-5-1-2-6-15(13)14)21-19-22-18(23-24-19)16-7-3-4-12-20-16;1-8-10(9(2)29-16(22-8)25-14(28-29)17(18,19)20)7-12(30)23-15-24-13(26-27-15)11-5-3-4-6-21-11;18-11-4-3-5-12(10-11)25-9-7-14(24-25)16(26)21-17-20-15(22-23-17)13-6-1-2-8-19-13;1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14;24-13(9-23-12-7-2-1-5-10(12)18-16(23)25)19-15-20-14(21-22-15)11-6-3-4-8-17-11/h2-9,15-16H,10-12H2,1H3;1-7,9,12H,8,10-11H2,(H2,21,22,23,24,25);3-6H,7H2,1-2H3,(H2,23,24,26,27,30);1-10H,(H2,20,21,22,23,26);2-9H,10-11H2,1H3,(H2,19,20,21,22,23);1-8H,9H2,(H,18,25)(H2,19,20,21,22,24)
• InChIKey: OFNHSYCTGOXXDW-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 598.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.14
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 159979047) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is COc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.COc1ccccc1C1CC1C(=O)CC1=NN=C(c2ccccn2)C1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCC1=CCc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2cccc(F)c2)n1.

What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

The InChIKey is OFNHSYCTGOXXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.C19H17N5O.C17H14F3N9O.C17H12FN7O.C17H17N5O3.C16H13N7O2/c1-25-20-8-3-2-6-14(20)15-12-16(15)19(24)11-13-10-18(23-22-13)17-7-4-5-9-21-17;25-17(11-10-14-9-8-13-5-1-2-6-15(13)14)21-19-22-18(23-24-19)16-7-3-4-12-20-16;1-8-10(9(2)29-16(22-8)25-14(28-29)17(18,19)20)7-12(30)23-15-24-13(26-27-15)11-5-3-4-6-21-11;18-11-4-3-5-12(10-11)25-9-7-14(24-25)16(26)21-17-20-15(22-23-17)13-6-1-2-8-19-13;1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14;24-13(9-23-12-7-2-1-5-10(12)18-16(23)25)19-15-20-14(21-22-15)11-6-3-4-8-17-11/h2-9,15-16H,10-12H2,1H3;1-7,9,12H,8,10-11H2,(H2,21,22,23,24,25);3-6H,7H2,1-2H3,(H2,23,24,26,27,30);1-10H,(H2,20,21,22,23,26);2-9H,10-11H2,1H3,(H2,19,20,21,22,23);1-8H,9H2,(H,18,25)(H2,19,20,21,22,24).

What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 2106.14 g/mol, XLogP of 14.37, 30 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 159979047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).