2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C97H101N27O11 — CID 157450591

About 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 157450591) has the molecular formula C97H101N27O11 and a molecular weight of 1821.05 g/mol. Its IUPAC name is 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

• Compound Name: 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
• PubChem CID: 157450591
• Molecular Formula: C97H101N27O11
• Molecular Weight: 1821.05 g/mol
• Exact Mass: 1819.82
• IUPAC Name: 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CNCC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccccc3Nc3ccccc3)[nH]c2cc1OC.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(C(C)(C)C)n1
• InChI: InChI=1S/C26H27N7O3.C25H22N6O3.C24H30N8O2.C22H22N6O3/c1-26(2,3)22-13-19(33(32-22)15-9-7-6-8-10-15)25(34)30-18-14-27-31-23(18)24-28-16-11-20(35-4)21(36-5)12-17(16)29-24;1-33-21-12-18-19(13-22(21)34-2)29-24(28-18)23-20(14-26-31-23)30-25(32)16-10-6-7-11-17(16)27-15-8-4-3-5-9-15;1-15-11-20(32(30-15)24(2,3)4)23(33)28-19-13-25-29-21(19)22-26-17-6-5-16(12-18(17)27-22)14-31-7-9-34-10-8-31;1-30-18-8-15-16(9-19(18)31-2)26-21(25-15)20-17(11-24-28-20)27-22(29)13-4-3-12-5-6-23-10-14(12)7-13/h6-14H,1-5H3,(H,27,31)(H,28,29)(H,30,34);3-14,27H,1-2H3,(H,26,31)(H,28,29)(H,30,32);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);3-4,7-9,11,23H,5-6,10H2,1-2H3,(H,24,28)(H,25,26)(H,27,29)
• InChIKey: BSTGGPQNFOJMTO-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 473.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1821.05
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?

The IUPAC name of 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 157450591) is 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

What is the SMILES notation for 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?

The canonical SMILES for 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CNCC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccccc3Nc3ccccc3)[nH]c2cc1OC.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(C(C)(C)C)n1.

What is the InChIKey of 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?

The InChIKey is BSTGGPQNFOJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C25H22N6O3.C24H30N8O2.C22H22N6O3/c1-26(2,3)22-13-19(33(32-22)15-9-7-6-8-10-15)25(34)30-18-14-27-31-23(18)24-28-16-11-20(35-4)21(36-5)12-17(16)29-24;1-33-21-12-18-19(13-22(21)34-2)29-24(28-18)23-20(14-26-31-23)30-25(32)16-10-6-7-11-17(16)27-15-8-4-3-5-9-15;1-15-11-20(32(30-15)24(2,3)4)23(33)28-19-13-25-29-21(19)22-26-17-6-5-16(12-18(17)27-22)14-31-7-9-34-10-8-31;1-30-18-8-15-16(9-19(18)31-2)26-21(25-15)20-17(11-24-28-20)27-22(29)13-4-3-12-5-6-23-10-14(12)7-13/h6-14H,1-5H3,(H,27,31)(H,28,29)(H,30,34);3-14,27H,1-2H3,(H,26,31)(H,28,29)(H,30,32);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);3-4,7-9,11,23H,5-6,10H2,1-2H3,(H,24,28)(H,25,26)(H,27,29).

What are the key properties of 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?

2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 1821.05 g/mol, XLogP of 15.84, 23 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 157450591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).