[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

C18H24FN3O3 — CID 97422677

IUPAC[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1
InChIInChI=1S/C18H24FN3O3/c19-14-4-3-7-20-16(14)25-13-18-6-11-24-15(18)5-10-22(12-18)17(23)21-8-1-2-9-21/h3-4,7,15H,1-2,5-6,8-13H2/t15-,18+/m1/s1
InChIKeyQXNRCKMCXKLOHS-QAPCUYQASA-N
MW349.41 g/mol
LogP2.30
Rot. Bonds3

About [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97422677) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID97422677
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1
InChIInChI=1S/C18H24FN3O3/c19-14-4-3-7-20-16(14)25-13-18-6-11-24-15(18)5-10-22(12-18)17(23)21-8-1-2-9-21/h3-4,7,15H,1-2,5-6,8-13H2/t15-,18+/m1/s1
InChIKeyQXNRCKMCXKLOHS-QAPCUYQASA-N
XLogP2.30
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (CID 97422677) is [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1.
What is the InChIKey of [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QXNRCKMCXKLOHS-QAPCUYQASA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-14-4-3-7-20-16(14)25-13-18-6-11-24-15(18)5-10-22(12-18)17(23)21-8-1-2-9-21/h3-4,7,15H,1-2,5-6,8-13H2/t15-,18+/m1/s1.
What are the key properties of [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97422677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).