1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C102H97N35O13S — CID 159478418

About 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 159478418) has the molecular formula C102H97N35O13S and a molecular weight of 2053.20 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 159478418
• Molecular Formula: C102H97N35O13S
• Molecular Weight: 2053.20 g/mol
• Exact Mass: 2051.77
• IUPAC Name: 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: CC(=O)N1CCC(C(=O)CC2=NN=C(c3ccccn3)C2)CC1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.Cc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2ccccc2=O)o1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2cncn2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(N2CCCCC2=O)cc1
• InChI: InChI=1S/C19H18N6O2.C18H14N6O3.C18H19N5O4.C17H14N8O.C17H20N4O2.C13H12N6OS/c26-16-6-2-4-12-25(16)14-9-7-13(8-10-14)18(27)22-19-21-17(23-24-19)15-5-1-3-11-20-15;25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;26-16(13-6-4-12(5-7-13)9-25-11-18-10-20-25)22-17-21-15(23-24-17)14-3-1-2-8-19-14;1-12(22)21-8-5-13(6-9-21)17(23)11-14-10-16(20-19-14)15-4-2-3-7-18-15;1-8-15-9(7-21-8)6-11(20)16-13-17-12(18-19-13)10-4-2-3-5-14-10/h1,3,5,7-11H,2,4,6,12H2,(H2,21,22,23,24,27);1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);1-8,10-11H,9H2,(H2,21,22,23,24,26);2-4,7,13H,5-6,8-11H2,1H3;2-5,7H,6H2,1H3,(H2,16,17,18,19,20)
• InChIKey: LWRHYWGTLMYFDP-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 619.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.20
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 159478418) is 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is CC(=O)N1CCC(C(=O)CC2=NN=C(c3ccccn3)C2)CC1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.Cc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2ccccc2=O)o1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2cncn2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(N2CCCCC2=O)cc1.

What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is LWRHYWGTLMYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2.C18H14N6O3.C18H19N5O4.C17H14N8O.C17H20N4O2.C13H12N6OS/c26-16-6-2-4-12-25(16)14-9-7-13(8-10-14)18(27)22-19-21-17(23-24-19)15-5-1-3-11-20-15;25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;26-16(13-6-4-12(5-7-13)9-25-11-18-10-20-25)22-17-21-15(23-24-17)14-3-1-2-8-19-14;1-12(22)21-8-5-13(6-9-21)17(23)11-14-10-16(20-19-14)15-4-2-3-7-18-15;1-8-15-9(7-21-8)6-11(20)16-13-17-12(18-19-13)10-4-2-3-5-14-10/h1,3,5,7-11H,2,4,6,12H2,(H2,21,22,23,24,27);1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);1-8,10-11H,9H2,(H2,21,22,23,24,26);2-4,7,13H,5-6,8-11H2,1H3;2-5,7H,6H2,1H3,(H2,16,17,18,19,20).

What are the key properties of 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 2053.20 g/mol, XLogP of 12.05, 29 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetylpiperidin-4-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-methyl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(2-oxopiperidin-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 159478418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).