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

C101H110N28O11 — CID 162186748

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

2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 162186748) has the molecular formula C101H110N28O11 and a molecular weight of 1892.18 g/mol. Its IUPAC name is 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 162186748
• Molecular Formula: C101H110N28O11
• Molecular Weight: 1892.18 g/mol
• Exact Mass: 1890.89
• IUPAC Name: 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccnc3Nc3ccccc3)[nH]c2cc1OC.COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(C(C)(C)C)n1
• InChI: InChI=1S/C27H32N6O3.C26H27N7O3.C24H30N8O2.C24H21N7O3/c1-27(2,3)18-6-8-23(35-4)19(14-18)26(34)31-22-15-28-32-24(22)25-29-20-7-5-17(13-21(20)30-25)16-33-9-11-36-12-10-33;1-26(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;1-15-11-20(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;1-33-19-11-16-17(12-20(19)34-2)29-23(28-16)21-18(13-26-31-21)30-24(32)15-9-6-10-25-22(15)27-14-7-4-3-5-8-14/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,32)(H,29,30)(H,31,34);6-14H,1-5H3,(H,27,31)(H,28,29)(H,30,34);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);3-13H,1-2H3,(H,25,27)(H,26,31)(H,28,29)(H,30,32)
• InChIKey: ZPTGAFSKCQJLKJ-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 477.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1892.18
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 162186748) is 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccnc3Nc3ccccc3)[nH]c2cc1OC.COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.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]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is ZPTGAFSKCQJLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.C26H27N7O3.C24H30N8O2.C24H21N7O3/c1-27(2,3)18-6-8-23(35-4)19(14-18)26(34)31-22-15-28-32-24(22)25-29-20-7-5-17(13-21(20)30-25)16-33-9-11-36-12-10-33;1-26(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;1-15-11-20(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;1-33-19-11-16-17(12-20(19)34-2)29-23(28-16)21-18(13-26-31-21)30-24(32)15-9-6-10-25-22(15)27-14-7-4-3-5-8-14/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,32)(H,29,30)(H,31,34);6-14H,1-5H3,(H,27,31)(H,28,29)(H,30,34);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);3-13H,1-2H3,(H,25,27)(H,26,31)(H,28,29)(H,30,32).

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

2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 1892.18 g/mol, XLogP of 16.71, 24 rotatable bonds, 13 hydrogen bond donors, and 27 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]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 162186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).