N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C25H17F4N5O3 — CID 161194332

About N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide

N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 161194332) has the molecular formula C25H17F4N5O3 and a molecular weight of 511.44 g/mol. Its IUPAC name is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 161194332
• Molecular Formula: C25H17F4N5O3
• Molecular Weight: 511.44 g/mol
• Exact Mass: 511.13
• IUPAC Name: N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide
• SMILES: O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(C(F)(F)F)c(F)c2)c1=O
• InChI: InChI=1S/C25H17F4N5O3/c26-19-11-14(5-7-18(19)25(27,28)29)13-34-10-2-4-17(24(34)36)22(35)31-12-21-32-23(37-33-21)16-6-8-20-15(16)3-1-9-30-20/h1-7,9-11H,8,12-13H2,(H,31,35)
• InChIKey: VAVGDWAKFYULPV-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 102.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.44
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 161194332) is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(C(F)(F)F)c(F)c2)c1=O.

What is the InChIKey of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is VAVGDWAKFYULPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N5O3/c26-19-11-14(5-7-18(19)25(27,28)29)13-34-10-2-4-17(24(34)36)22(35)31-12-21-32-23(37-33-21)16-6-8-20-15(16)3-1-9-30-20/h1-7,9-11H,8,12-13H2,(H,31,35).

What are the key properties of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide?

N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 511.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 161194332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).