N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C23H20F7N5O4 — CID 175460662

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175460662) has the molecular formula C23H20F7N5O4 and a molecular weight of 563.43 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175460662
• Molecular Formula: C23H20F7N5O4
• Molecular Weight: 563.43 g/mol
• Exact Mass: 563.14
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1)C1(F)CCNCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H19F4N5O2.C2HF3O2/c22-14-2-1-3-16(10-14)30(20(31)21(25)6-8-26-9-7-21)12-15-5-4-13(11-27-15)18-28-29-19(32-18)17(23)24;3-2(4,5)1(6)7/h1-5,10-11,17,26H,6-9,12H2;(H,6,7)
• InChIKey: YYTHZLOXRGKHKW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 121.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.43
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 175460662) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(F)c1)C1(F)CCNCC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YYTHZLOXRGKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O2.C2HF3O2/c22-14-2-1-3-16(10-14)30(20(31)21(25)6-8-26-9-7-21)12-15-5-4-13(11-27-15)18-28-29-19(32-18)17(23)24;3-2(4,5)1(6)7/h1-5,10-11,17,26H,6-9,12H2;(H,6,7).

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 563.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175460662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).