3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

C102H107N43O13S — CID 158712165

About 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 158712165) has the molecular formula C102H107N43O13S and a molecular weight of 2175.33 g/mol. Its IUPAC name is 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
• PubChem CID: 158712165
• Molecular Formula: C102H107N43O13S
• Molecular Weight: 2175.33 g/mol
• Exact Mass: 2173.88
• IUPAC Name: 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
• SMILES: COCCOc1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.Cn1c(=O)n(-c2n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1nc(-n2c(=O)[nH]c3ccccc32)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-n2ncc3ccccc32)n[nH]1
• InChI: InChI=1S/C23H26N8O4.C21H22N8O4S.C20H21N9O2.C19H19N9O2.C19H19N9O/c1-34-10-11-35-16-3-2-15-14-31(22(33)17(15)12-16)23-27-20(28-29-23)21(32)26-18-13-25-5-4-19(18)30-8-6-24-7-9-30;1-34(32,33)14-3-2-13-12-29(20(31)15(13)10-14)21-25-18(26-27-21)19(30)24-16-11-23-5-4-17(16)28-8-6-22-7-9-28;1-27-15-4-2-3-5-16(15)29(20(27)31)19-24-17(25-26-19)18(30)23-13-12-22-7-6-14(13)28-10-8-21-9-11-28;29-17(22-13-11-21-6-5-14(13)27-9-7-20-8-10-27)16-24-18(26-25-16)28-15-4-2-1-3-12(15)23-19(28)30;29-18(23-14-12-21-6-5-16(14)27-9-7-20-8-10-27)17-24-19(26-25-17)28-15-4-2-1-3-13(15)11-22-28/h2-5,12-13,24H,6-11,14H2,1H3,(H,26,32)(H,27,28,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,30)(H,25,26,27);2-7,12,21H,8-11H2,1H3,(H,23,30)(H,24,25,26);1-6,11,20H,7-10H2,(H,22,29)(H,23,30)(H,24,25,26);1-6,11-12,20H,7-10H2,(H,23,29)(H,24,25,26)
• InChIKey: IIWCUXJKFICUSA-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 669.91 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2175.33
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The IUPAC name of 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (CID 158712165) is 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

What is the SMILES notation for 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The canonical SMILES for 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is COCCOc1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.Cn1c(=O)n(-c2n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1nc(-n2c(=O)[nH]c3ccccc32)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-n2ncc3ccccc32)n[nH]1.

What is the InChIKey of 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The InChIKey is IIWCUXJKFICUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O4.C21H22N8O4S.C20H21N9O2.C19H19N9O2.C19H19N9O/c1-34-10-11-35-16-3-2-15-14-31(22(33)17(15)12-16)23-27-20(28-29-23)21(32)26-18-13-25-5-4-19(18)30-8-6-24-7-9-30;1-34(32,33)14-3-2-13-12-29(20(31)15(13)10-14)21-25-18(26-27-21)19(30)24-16-11-23-5-4-17(16)28-8-6-22-7-9-28;1-27-15-4-2-3-5-16(15)29(20(27)31)19-24-17(25-26-19)18(30)23-13-12-22-7-6-14(13)28-10-8-21-9-11-28;29-17(22-13-11-21-6-5-14(13)27-9-7-20-8-10-27)16-24-18(26-25-16)28-15-4-2-1-3-12(15)23-19(28)30;29-18(23-14-12-21-6-5-16(14)27-9-7-20-8-10-27)17-24-19(26-25-17)28-15-4-2-1-3-13(15)11-22-28/h2-5,12-13,24H,6-11,14H2,1H3,(H,26,32)(H,27,28,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,30)(H,25,26,27);2-7,12,21H,8-11H2,1H3,(H,23,30)(H,24,25,26);1-6,11,20H,7-10H2,(H,22,29)(H,23,30)(H,24,25,26);1-6,11-12,20H,7-10H2,(H,23,29)(H,24,25,26).

What are the key properties of 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 2175.33 g/mol, XLogP of 3.67, 25 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 158712165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).