N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide

C46H53F3N14O7S — CID 159905050

About N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 159905050) has the molecular formula C46H53F3N14O7S and a molecular weight of 1003.08 g/mol. Its IUPAC name is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
• PubChem CID: 159905050
• Molecular Formula: C46H53F3N14O7S
• Molecular Weight: 1003.08 g/mol
• Exact Mass: 1002.39
• IUPAC Name: N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c2cc1OC.CS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1
• InChI: InChI=1S/C24H24F3N7O3.C22H29N7O4S/c1-36-18-9-15-16(10-19(18)37-2)31-22(30-15)21-17(12-29-33-21)32-23(35)13-5-7-34(8-6-13)20-4-3-14(11-28-20)24(25,26)27;1-34(31,32)29-6-4-16(5-7-29)22(30)26-19-13-23-27-20(19)21-24-17-3-2-15(12-18(17)25-21)14-28-8-10-33-11-9-28/h3-4,9-13H,5-8H2,1-2H3,(H,29,33)(H,30,31)(H,32,35);2-3,12-13,16H,4-11,14H2,1H3,(H,23,27)(H,24,25)(H,26,30)
• InChIKey: NWLQAKUVKIUYMH-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 257.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1003.08
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?

The IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide (CID 159905050) is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c2cc1OC.CS(=O)(=O)N1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1.

What is the InChIKey of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?

The InChIKey is NWLQAKUVKIUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3.C22H29N7O4S/c1-36-18-9-15-16(10-19(18)37-2)31-22(30-15)21-17(12-29-33-21)32-23(35)13-5-7-34(8-6-13)20-4-3-14(11-28-20)24(25,26)27;1-34(31,32)29-6-4-16(5-7-29)22(30)26-19-13-23-27-20(19)21-24-17-3-2-15(12-18(17)25-21)14-28-8-10-33-11-9-28/h3-4,9-13H,5-8H2,1-2H3,(H,29,33)(H,30,31)(H,32,35);2-3,12-13,16H,4-11,14H2,1H3,(H,23,27)(H,24,25)(H,26,30).

What are the key properties of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide?

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 1003.08 g/mol, XLogP of 5.63, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 159905050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).