N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide

C27H28F3N7O4 — CID 46202422

About N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 46202422) has the molecular formula C27H28F3N7O4 and a molecular weight of 571.56 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 46202422
• Molecular Formula: C27H28F3N7O4
• Molecular Weight: 571.56 g/mol
• Exact Mass: 571.22
• IUPAC Name: N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(C(=O)NCCN2CCC(O)CC2)nc1
• InChI: InChI=1S/C27H28F3N7O4/c1-17-14-23(26-33-24(35-41-26)19-3-5-21(6-4-19)40-27(28,29)30)34-37(17)16-18-2-7-22(32-15-18)25(39)31-10-13-36-11-8-20(38)9-12-36/h2-7,14-15,20,38H,8-13,16H2,1H3,(H,31,39)
• InChIKey: YJIJXXZKBNSPOX-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 131.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.56
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide (CID 46202422) is N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(C(=O)NCCN2CCC(O)CC2)nc1.

What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide?

The InChIKey is YJIJXXZKBNSPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O4/c1-17-14-23(26-33-24(35-41-26)19-3-5-21(6-4-19)40-27(28,29)30)34-37(17)16-18-2-7-22(32-15-18)25(39)31-10-13-36-11-8-20(38)9-12-36/h2-7,14-15,20,38H,8-13,16H2,1H3,(H,31,39).

What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide?

N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 571.56 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 46202422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).