5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide

C27H26F3N7O2 — CID 135224251

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (PubChem CID 135224251) has the molecular formula C27H26F3N7O2 and a molecular weight of 537.55 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
• PubChem CID: 135224251
• Molecular Formula: C27H26F3N7O2
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.21
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
• SMILES: CC1=C(c2ccnn2-c2ccc(C#N)cc2)N(C(=O)NC2CCNCC2)C(O)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H26F3N7O2/c1-17-24(23-11-14-33-37(23)21-7-5-18(16-31)6-8-21)36(25(38)34-20-9-12-32-13-10-20)26(39)35(17)22-4-2-3-19(15-22)27(28,29)30/h2-8,11,14-15,20,26,32,39H,9-10,12-13H2,1H3,(H,34,38)
• InChIKey: QELBRYMEVKKSDO-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 109.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?

The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (CID 135224251) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.

What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?

The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is CC1=C(c2ccnn2-c2ccc(C#N)cc2)N(C(=O)NC2CCNCC2)C(O)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?

The InChIKey is QELBRYMEVKKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O2/c1-17-24(23-11-14-33-37(23)21-7-5-18(16-31)6-8-21)36(25(38)34-20-9-12-32-13-10-20)26(39)35(17)22-4-2-3-19(15-22)27(28,29)30/h2-8,11,14-15,20,26,32,39H,9-10,12-13H2,1H3,(H,34,38).

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?

5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-2-hydroxy-4-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is sourced from PubChem (CID 135224251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).