5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine

C21H28FN3O2 — CID 146283846

IUPAC5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
SMILESCOC1=CC(C[C@H]2CCN([C@H](C)c3nc4c(cc3F)CCO4)C2)=CC(C)N1
InChIInChI=1S/C21H28FN3O2/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/h8,10-11,13-15,23H,4-7,9,12H2,1-3H3/t13?,14-,15-/m1/s1
InChIKeyCGUOVYNXYUSNRS-JVIGXAJISA-N
MW373.47 g/mol
LogP3.33
Rot. Bonds5

About 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine

5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine (PubChem CID 146283846) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
PubChem CID146283846
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
SMILESCOC1=CC(C[C@H]2CCN([C@H](C)c3nc4c(cc3F)CCO4)C2)=CC(C)N1
InChIInChI=1S/C21H28FN3O2/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/h8,10-11,13-15,23H,4-7,9,12H2,1-3H3/t13?,14-,15-/m1/s1
InChIKeyCGUOVYNXYUSNRS-JVIGXAJISA-N
XLogP3.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine?
The IUPAC name of 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine (CID 146283846) is 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine is COC1=CC(C[C@H]2CCN([C@H](C)c3nc4c(cc3F)CCO4)C2)=CC(C)N1.
What is the InChIKey of 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine?
The InChIKey is CGUOVYNXYUSNRS-JVIGXAJISA-N. The full InChI is InChI=1S/C21H28FN3O2/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/h8,10-11,13-15,23H,4-7,9,12H2,1-3H3/t13?,14-,15-/m1/s1.
What are the key properties of 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine?
5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine has a molecular weight of 373.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(1R)-1-[(3S)-3-[(6-methoxy-2-methyl-1,2-dihydropyridin-4-yl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine is sourced from PubChem (CID 146283846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).