1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

C123H113F3N40O11S2 — CID 158309590

About 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (PubChem CID 158309590) has the molecular formula C123H113F3N40O11S2 and a molecular weight of 2448.65 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• PubChem CID: 158309590
• Molecular Formula: C123H113F3N40O11S2
• Molecular Weight: 2448.65 g/mol
• Exact Mass: 2446.89
• IUPAC Name: 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• SMILES: CC1CCc2sc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2C1.CN(CC(=O)Cc1nc(-c2ccccn2)n[nH]1)Cc1ccccc1.COc1cccc(COCC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1.COc1ccccc1C1CC1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1nc(-c2ccccn2)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ncc(-c2ccccn2)[nH]1
• InChI: InChI=1S/C18H15F3N8O.C18H17N5O2.C18H19N5O.C18H18N4O3.C17H13N7OS.C17H14N6O2.C17H17N5OS/c1-9-12(10(2)29-17(23-9)25-16(28-29)18(19,20)21)7-11(30)8-14-24-15(27-26-14)13-5-3-4-6-22-13;1-25-15-8-3-2-6-11(15)12-10-13(12)17(24)21-18-20-16(22-23-18)14-7-4-5-9-19-14;1-23(12-14-7-3-2-4-8-14)13-15(24)11-17-20-18(22-21-17)16-9-5-6-10-19-16;1-24-15-6-4-5-13(9-15)11-25-12-14(23)10-17-20-18(22-21-17)16-7-2-3-8-19-16;1-10-13(26-16(20-10)12-7-3-5-9-19-12)15(25)22-17-21-14(23-24-17)11-6-2-4-8-18-11;24-15(10-23-14-7-2-1-6-12(14)21-17(23)25)22-16-19-9-13(20-16)11-5-3-4-8-18-11;1-10-5-6-13-11(8-10)9-14(24-13)16(23)20-17-19-15(21-22-17)12-4-2-3-7-18-12/h3-6H,7-8H2,1-2H3,(H,24,26,27);2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24);2-10H,11-13H2,1H3,(H,20,21,22);2-9H,10-12H2,1H3,(H,20,21,22);2-9H,1H3,(H2,21,22,23,24,25);1-9H,10H2,(H,21,25)(H2,19,20,22,24);2-4,7,9-10H,5-6,8H2,1H3,(H2,19,20,21,22,23)
• InChIKey: GNNBCEAQNZMSSA-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 673.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.65
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The IUPAC name of 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (CID 158309590) is 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The canonical SMILES for 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is CC1CCc2sc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2C1.CN(CC(=O)Cc1nc(-c2ccccn2)n[nH]1)Cc1ccccc1.COc1cccc(COCC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1.COc1ccccc1C1CC1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1nc(-c2ccccn2)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1ncc(-c2ccccn2)[nH]1.

What is the InChIKey of 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The InChIKey is GNNBCEAQNZMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8O.C18H17N5O2.C18H19N5O.C18H18N4O3.C17H13N7OS.C17H14N6O2.C17H17N5OS/c1-9-12(10(2)29-17(23-9)25-16(28-29)18(19,20)21)7-11(30)8-14-24-15(27-26-14)13-5-3-4-6-22-13;1-25-15-8-3-2-6-11(15)12-10-13(12)17(24)21-18-20-16(22-23-18)14-7-4-5-9-19-14;1-23(12-14-7-3-2-4-8-14)13-15(24)11-17-20-18(22-21-17)16-9-5-6-10-19-16;1-24-15-6-4-5-13(9-15)11-25-12-14(23)10-17-20-18(22-21-17)16-7-2-3-8-19-16;1-10-13(26-16(20-10)12-7-3-5-9-19-12)15(25)22-17-21-14(23-24-17)11-6-2-4-8-18-11;24-15(10-23-14-7-2-1-6-12(14)21-17(23)25)22-16-19-9-13(20-16)11-5-3-4-8-18-11;1-10-5-6-13-11(8-10)9-14(24-13)16(23)20-17-19-15(21-22-17)12-4-2-3-7-18-12/h3-6H,7-8H2,1-2H3,(H,24,26,27);2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24);2-10H,11-13H2,1H3,(H,20,21,22);2-9H,10-12H2,1H3,(H,20,21,22);2-9H,1H3,(H2,21,22,23,24,25);1-9H,10H2,(H,21,25)(H2,19,20,22,24);2-4,7,9-10H,5-6,8H2,1H3,(H2,19,20,21,22,23).

What are the key properties of 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide has a molecular weight of 2448.65 g/mol, XLogP of 17.23, 36 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl(methyl)amino]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;1-[(3-methoxyphenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 158309590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).