3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide

C127H138FN37O17S2 — CID 159649025

About 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide

3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide (PubChem CID 159649025) has the molecular formula C127H138FN37O17S2 and a molecular weight of 2537.87 g/mol. Its IUPAC name is 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide
• PubChem CID: 159649025
• Molecular Formula: C127H138FN37O17S2
• Molecular Weight: 2537.87 g/mol
• Exact Mass: 2536.05
• IUPAC Name: 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide
• SMILES: CC(C)(C)c1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(-c2ccccc2)n1.COc1ccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(OC)n1.Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1.Cc1noc(C)c1NC(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
• InChI: InChI=1S/C29H32N8O2.C27H30FN7O4S.C27H27N7O4S.C23H25N7O4.C21H24N8O3/c1-29(2,3)25-16-24(37(35-25)20-7-5-4-6-8-20)28(38)33-23-17-30-34-26(23)27-31-21-10-9-19(15-22(21)32-27)18-36-11-13-39-14-12-36;28-20-2-4-21(5-3-20)40(37,38)35-9-7-19(8-10-35)27(36)32-24-16-29-33-25(24)26-30-22-6-1-18(15-23(22)31-26)17-34-11-13-39-14-12-34;1-18-2-5-21(6-3-18)39(36,37)34-9-8-20(17-34)27(35)31-24-15-28-32-25(24)26-29-22-7-4-19(14-23(22)30-26)16-33-10-12-38-13-11-33;1-32-19-6-4-15(23(28-19)33-2)22(31)27-18-12-24-29-20(18)21-25-16-5-3-14(11-17(16)26-21)13-30-7-9-34-10-8-30;1-12-18(13(2)32-28-12)26-21(30)25-17-10-22-27-19(17)20-23-15-4-3-14(9-16(15)24-20)11-29-5-7-31-8-6-29/h4-10,15-17H,11-14,18H2,1-3H3,(H,30,34)(H,31,32)(H,33,38);1-6,15-16,19H,7-14,17H2,(H,29,33)(H,30,31)(H,32,36);2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)(H,29,30)(H,31,35);3-6,11-12H,7-10,13H2,1-2H3,(H,24,29)(H,25,26)(H,27,31);3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)(H,23,24)(H2,25,26,30)
• InChIKey: MRIFBNSEOFPUOJ-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 658.33 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2537.87
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide?

The IUPAC name of 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide (CID 159649025) is 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(-c2ccccc2)n1.COc1ccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(OC)n1.Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1.Cc1noc(C)c1NC(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.

What is the InChIKey of 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide?

The InChIKey is MRIFBNSEOFPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2.C27H30FN7O4S.C27H27N7O4S.C23H25N7O4.C21H24N8O3/c1-29(2,3)25-16-24(37(35-25)20-7-5-4-6-8-20)28(38)33-23-17-30-34-26(23)27-31-21-10-9-19(15-22(21)32-27)18-36-11-13-39-14-12-36;28-20-2-4-21(5-3-20)40(37,38)35-9-7-19(8-10-35)27(36)32-24-16-29-33-25(24)26-30-22-6-1-18(15-23(22)31-26)17-34-11-13-39-14-12-34;1-18-2-5-21(6-3-18)39(36,37)34-9-8-20(17-34)27(35)31-24-15-28-32-25(24)26-29-22-7-4-19(14-23(22)30-26)16-33-10-12-38-13-11-33;1-32-19-6-4-15(23(28-19)33-2)22(31)27-18-12-24-29-20(18)21-25-16-5-3-14(11-17(16)26-21)13-30-7-9-34-10-8-30;1-12-18(13(2)32-28-12)26-21(30)25-17-10-22-27-19(17)20-23-15-4-3-14(9-16(15)24-20)11-29-5-7-31-8-6-29/h4-10,15-17H,11-14,18H2,1-3H3,(H,30,34)(H,31,32)(H,33,38);1-6,15-16,19H,7-14,17H2,(H,29,33)(H,30,31)(H,32,36);2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)(H,29,30)(H,31,35);3-6,11-12H,7-10,13H2,1-2H3,(H,24,29)(H,25,26)(H,27,31);3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)(H,23,24)(H2,25,26,30).

What are the key properties of 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide?

3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 2537.87 g/mol, XLogP of 16.35, 32 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2,6-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(4-fluorophenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 159649025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).