5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane

C22H32FN3O2S — CID 159062093

About 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane

5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane (PubChem CID 159062093) has the molecular formula C22H32FN3O2S and a molecular weight of 421.58 g/mol. Its IUPAC name is 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane.

Molecular Properties

• Compound Name: 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
• PubChem CID: 159062093
• Molecular Formula: C22H32FN3O2S
• Molecular Weight: 421.58 g/mol
• Exact Mass: 421.22
• IUPAC Name: 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
• SMILES: C.COc1cc(C[C@H]2CCN([C@@H](C)c3nc4c(cc3F)CCO4)C2)cc(C)n1.S
• InChI: InChI=1S/C21H26FN3O2.CH4.H2S/c1-13-8-16(10-19(23-13)26-3)9-15-4-6-25(12-15)14(2)20-18(22)11-17-5-7-27-21(17)24-20;;/h8,10-11,14-15H,4-7,9,12H2,1-3H3;1H4;1H2/t14-,15+;;/m0../s1
• InChIKey: JYPGNASFHACSJT-FZMMWMHASA-N
• XLogP: 4.24
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane?

The IUPAC name of 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane (CID 159062093) is 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane.

What is the SMILES notation for 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane?

The canonical SMILES for 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane is C.COc1cc(C[C@H]2CCN([C@@H](C)c3nc4c(cc3F)CCO4)C2)cc(C)n1.S.

What is the InChIKey of 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane?

The InChIKey is JYPGNASFHACSJT-FZMMWMHASA-N. The full InChI is InChI=1S/C21H26FN3O2.CH4.H2S/c1-13-8-16(10-19(23-13)26-3)9-15-4-6-25(12-15)14(2)20-18(22)11-17-5-7-27-21(17)24-20;;/h8,10-11,14-15H,4-7,9,12H2,1-3H3;1H4;1H2/t14-,15+;;/m0../s1.

What are the key properties of 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane?

5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane has a molecular weight of 421.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane is sourced from PubChem (CID 159062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).