2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C37H33F5N4O2 — CID 23614423

About 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 23614423) has the molecular formula C37H33F5N4O2 and a molecular weight of 660.69 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
• PubChem CID: 23614423
• Molecular Formula: C37H33F5N4O2
• Molecular Weight: 660.69 g/mol
• Exact Mass: 660.25
• IUPAC Name: 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
• SMILES: O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCNCC1
• InChI: InChI=1S/C37H33F5N4O2/c38-32-5-1-3-27(35(32)39)12-15-30-21-33(47)31-4-2-18-44-36(31)46(30)23-34(48)45(29-16-19-43-20-17-29)22-24-6-8-25(9-7-24)26-10-13-28(14-11-26)37(40,41)42/h1-11,13-14,18,21,29,43H,12,15-17,19-20,22-23H2
• InChIKey: LDNPOVLETWTBCM-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.69
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?

The IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 23614423) is 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

What is the SMILES notation for 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?

The canonical SMILES for 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCNCC1.

What is the InChIKey of 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?

The InChIKey is LDNPOVLETWTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F5N4O2/c38-32-5-1-3-27(35(32)39)12-15-30-21-33(47)31-4-2-18-44-36(31)46(30)23-34(48)45(29-16-19-43-20-17-29)22-24-6-8-25(9-7-24)26-10-13-28(14-11-26)37(40,41)42/h1-11,13-14,18,21,29,43H,12,15-17,19-20,22-23H2.

What are the key properties of 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?

2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 660.69 g/mol, XLogP of 6.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-piperidin-4-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 23614423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).