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

C26H18F4N4O3 — CID 157264274

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

3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 157264274) has the molecular formula C26H18F4N4O3 and a molecular weight of 510.45 g/mol. Its IUPAC name is 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
• PubChem CID: 157264274
• Molecular Formula: C26H18F4N4O3
• Molecular Weight: 510.45 g/mol
• Exact Mass: 510.13
• IUPAC Name: 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
• SMILES: O=C(CCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(C(F)(F)F)c(F)c2)c1=O
• InChI: InChI=1S/C26H18F4N4O3/c27-20-13-15(5-7-19(20)26(28,29)30)14-34-12-2-4-18(25(34)36)22(35)9-10-23-32-24(37-33-23)17-6-8-21-16(17)3-1-11-31-21/h1-7,11-13H,8-10,14H2
• InChIKey: AXUXTOHOGMWFNF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 90.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.45
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 157264274) is 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

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

The canonical SMILES for 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=C(CCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(C(F)(F)F)c(F)c2)c1=O.

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

The InChIKey is AXUXTOHOGMWFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N4O3/c27-20-13-15(5-7-19(20)26(28,29)30)14-34-12-2-4-18(25(34)36)22(35)9-10-23-32-24(37-33-23)17-6-8-21-16(17)3-1-11-31-21/h1-7,11-13H,8-10,14H2.

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

3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 510.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]propanoyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 157264274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).