7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C23H24F4N4O2 — CID 58579351

About 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579351) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
• PubChem CID: 58579351
• Molecular Formula: C23H24F4N4O2
• Molecular Weight: 464.46 g/mol
• Exact Mass: 464.18
• IUPAC Name: 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
• SMILES: O=c1ccc2ncc(F)cc2n1CCN1CC[C@H](CCc2ccc(C(F)(F)F)nc2)[C@H](O)C1
• InChI: InChI=1S/C23H24F4N4O2/c24-17-11-19-18(28-13-17)4-6-22(33)31(19)10-9-30-8-7-16(20(32)14-30)3-1-15-2-5-21(29-12-15)23(25,26)27/h2,4-6,11-13,16,20,32H,1,3,7-10,14H2/t16-,20+/m0/s1
• InChIKey: XCHGBMXERAPYTR-OXJNMPFZSA-N
• XLogP: 3.27
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.46
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?

The IUPAC name of 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579351) is 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

What is the SMILES notation for 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?

The canonical SMILES for 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CC[C@H](CCc2ccc(C(F)(F)F)nc2)[C@H](O)C1.

What is the InChIKey of 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?

The InChIKey is XCHGBMXERAPYTR-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c24-17-11-19-18(28-13-17)4-6-22(33)31(19)10-9-30-8-7-16(20(32)14-30)3-1-15-2-5-21(29-12-15)23(25,26)27/h2,4-6,11-13,16,20,32H,1,3,7-10,14H2/t16-,20+/m0/s1.

What are the key properties of 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?

7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 464.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-[2-[(3S,4S)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).