1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone

C18H19FN2O4 — CID 125225648

IUPAC1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1C[C@H]2COC[C@@]2(COc2ncccc2F)C1
InChIInChI=1S/C18H19FN2O4/c19-15-4-1-5-20-17(15)25-12-18-10-21(8-13(18)9-23-11-18)16(22)7-14-3-2-6-24-14/h1-6,13H,7-12H2/t13-,18+/m0/s1
InChIKeyVHSKSLNCBAMKGU-SCLBCKFNSA-N
MW346.36 g/mol
LogP1.91
Rot. Bonds5

About 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone

1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone (PubChem CID 125225648) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
PubChem CID125225648
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1C[C@H]2COC[C@@]2(COc2ncccc2F)C1
InChIInChI=1S/C18H19FN2O4/c19-15-4-1-5-20-17(15)25-12-18-10-21(8-13(18)9-23-11-18)16(22)7-14-3-2-6-24-14/h1-6,13H,7-12H2/t13-,18+/m0/s1
InChIKeyVHSKSLNCBAMKGU-SCLBCKFNSA-N
XLogP1.91
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone with MolForge

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Related Compounds

[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
CID 97421104
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-2-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97421261
[(3aR,6aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone
CID 97421314
6-[[(3aR,6aR)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 97421317
1-[(3aS,6aS)-3a-(pyridin-3-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(furan-2-yl)ethanone
CID 97421470
1-[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(furan-2-yl)ethanone
CID 97421487
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97422667
(3aR,6aS)-2-(furan-3-ylmethyl)-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507593
(3aR,6aS)-2-(furan-3-ylmethyl)-5-(pyridin-4-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507657
4-[1-(Furan-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-YL]pyridine
CID 110202846
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-2-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 127022165
[(3aR,6aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(cyclopenten-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023515

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone (CID 125225648) is 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)N1C[C@H]2COC[C@@]2(COc2ncccc2F)C1.
What is the InChIKey of 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone?
The InChIKey is VHSKSLNCBAMKGU-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-15-4-1-5-20-17(15)25-12-18-10-21(8-13(18)9-23-11-18)16(22)7-14-3-2-6-24-14/h1-6,13H,7-12H2/t13-,18+/m0/s1.
What are the key properties of 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone?
1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone has a molecular weight of 346.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 125225648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).