2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C23H15F6N3O2 — CID 147498797

About 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 147498797) has the molecular formula C23H15F6N3O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 147498797
• Molecular Formula: C23H15F6N3O2
• Molecular Weight: 479.38 g/mol
• Exact Mass: 479.11
• IUPAC Name: 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: COc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4c(c3)C(F)=CC4)cc2F)cc1C(F)(F)F
• InChI: InChI=1S/C23H15F6N3O2/c1-34-22-16(23(27,28)29)7-13(10-31-22)32-21(33)6-11-5-19(26)14(8-18(11)25)12-4-15-17(24)2-3-20(15)30-9-12/h2,4-5,7-10H,3,6H2,1H3,(H,32,33)
• InChIKey: FGZWZDDBYVRXKL-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.38
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 147498797) is 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4c(c3)C(F)=CC4)cc2F)cc1C(F)(F)F.

What is the InChIKey of 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is FGZWZDDBYVRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O2/c1-34-22-16(23(27,28)29)7-13(10-31-22)32-21(33)6-11-5-19(26)14(8-18(11)25)12-4-15-17(24)2-3-20(15)30-9-12/h2,4-5,7-10H,3,6H2,1H3,(H,32,33).

What are the key properties of 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?

2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 479.38 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 147498797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).