1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

C99H86ClFN28O9S — CID 159708688

About 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (PubChem CID 159708688) has the molecular formula C99H86ClFN28O9S and a molecular weight of 1898.48 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• PubChem CID: 159708688
• Molecular Formula: C99H86ClFN28O9S
• Molecular Weight: 1898.48 g/mol
• Exact Mass: 1896.65
• IUPAC Name: 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• SMILES: Cc1ccc(CC(=O)Nc2ncc(-c3ccccn3)[nH]2)s1.Cc1cccc(C(=O)Nc2cnc(-c3ccccn3)[nH]2)n1.N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(COCc1ccccc1Cl)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cc1nc(-c2ccccn2)n[nH]1)c1ccc(OCC2CC2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1c1ccc(F)cc1
• InChI: InChI=1S/C19H18N4O2.C17H15ClN4O2.C17H14FN5O.C16H12N6O2.C15H13N5O.C15H14N4OS/c24-17(14-6-8-15(9-7-14)25-12-13-4-5-13)11-18-21-19(23-22-18)16-3-1-2-10-20-16;18-14-6-2-1-5-12(14)10-24-11-13(23)9-16-20-17(22-21-16)15-7-3-4-8-19-15;18-11-6-4-10(5-7-11)12-9-13(12)16(24)21-17-20-15(22-23-17)14-3-1-2-8-19-14;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13;1-10-5-4-7-12(18-10)15(21)20-13-9-17-14(19-13)11-6-2-3-8-16-11;1-10-5-6-11(21-10)8-14(20)19-15-17-9-13(18-15)12-4-2-3-7-16-12/h1-3,6-10,13H,4-5,11-12H2,(H,21,22,23);1-8H,9-11H2,(H,20,21,22);1-8,12-13H,9H2,(H2,20,21,22,23,24);1-8H,10H2,(H2,19,20,21,22,23);2-9H,1H3,(H,17,19)(H,20,21);2-7,9H,8H2,1H3,(H2,17,18,19,20)
• InChIKey: MYOAQWXLYUDKEQ-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 515.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.48
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (CID 159708688) is 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2ncc(-c3ccccn3)[nH]2)s1.Cc1cccc(C(=O)Nc2cnc(-c3ccccn3)[nH]2)n1.N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(COCc1ccccc1Cl)Cc1nc(-c2ccccn2)n[nH]1.O=C(Cc1nc(-c2ccccn2)n[nH]1)c1ccc(OCC2CC2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC1c1ccc(F)cc1.

What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The InChIKey is MYOAQWXLYUDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C17H15ClN4O2.C17H14FN5O.C16H12N6O2.C15H13N5O.C15H14N4OS/c24-17(14-6-8-15(9-7-14)25-12-13-4-5-13)11-18-21-19(23-22-18)16-3-1-2-10-20-16;18-14-6-2-1-5-12(14)10-24-11-13(23)9-16-20-17(22-21-16)15-7-3-4-8-19-15;18-11-6-4-10(5-7-11)12-9-13(12)16(24)21-17-20-15(22-23-17)14-3-1-2-8-19-14;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13;1-10-5-4-7-12(18-10)15(21)20-13-9-17-14(19-13)11-6-2-3-8-16-11;1-10-5-6-11(21-10)8-14(20)19-15-17-9-13(18-15)12-4-2-3-7-16-12/h1-3,6-10,13H,4-5,11-12H2,(H,21,22,23);1-8H,9-11H2,(H,20,21,22);1-8,12-13H,9H2,(H2,20,21,22,23,24);1-8H,10H2,(H2,19,20,21,22,23);2-9H,1H3,(H,17,19)(H,20,21);2-7,9H,8H2,1H3,(H2,17,18,19,20).

What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide has a molecular weight of 1898.48 g/mol, XLogP of 15.88, 30 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[4-(cyclopropylmethoxy)phenyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;2-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;6-methyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 159708688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).