3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C89H88F5N27O10 — CID 158980374

About 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 158980374) has the molecular formula C89H88F5N27O10 and a molecular weight of 1790.85 g/mol. Its IUPAC name is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
• PubChem CID: 158980374
• Molecular Formula: C89H88F5N27O10
• Molecular Weight: 1790.85 g/mol
• Exact Mass: 1789.71
• IUPAC Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.O=C(Cc1c(F)cccc1F)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/2C23H22F2N6O2.C22H19FN8O3.C21H25N7O3/c24-16-2-1-3-17(25)15(16)11-21(32)27-20-12-26-30-22(20)23-28-18-5-4-14(10-19(18)29-23)13-31-6-8-33-9-7-31;24-15-2-1-3-16(25)20(15)23(32)30-19-11-27-31-21(19)22-28-17-5-4-14(10-18(17)29-22)33-12-13-6-8-26-9-7-13;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h1-5,10,12H,6-9,11,13H2,(H,26,30)(H,27,32)(H,28,29);1-5,10-11,13,26H,6-9,12H2,(H,27,31)(H,28,29)(H,30,32);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29)
• InChIKey: JOXOEKGNYVYQFV-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 465.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1790.85
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?

The IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 158980374) is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.O=C(Cc1c(F)cccc1F)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(OCC3CCNCC3)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?

The InChIKey is JOXOEKGNYVYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22F2N6O2.C22H19FN8O3.C21H25N7O3/c24-16-2-1-3-17(25)15(16)11-21(32)27-20-12-26-30-22(20)23-28-18-5-4-14(10-19(18)29-23)13-31-6-8-33-9-7-31;24-15-2-1-3-16(25)20(15)23(32)30-19-11-27-31-21(19)22-28-17-5-4-14(10-18(17)29-22)33-12-13-6-8-26-9-7-13;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h1-5,10,12H,6-9,11,13H2,(H,26,30)(H,27,32)(H,28,29);1-5,10-11,13,26H,6-9,12H2,(H,27,31)(H,28,29)(H,30,32);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29).

What are the key properties of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 1790.85 g/mol, XLogP of 13.61, 23 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;2-(2,6-difluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide;2,6-difluoro-N-[5-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 158980374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).