[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone

C20H21FN2O3 — CID 97421110

IUPAC[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1
InChIInChI=1S/C20H21FN2O3/c21-18-6-2-1-5-17(18)19(24)23-9-16-11-26-14-20(16,12-23)13-25-10-15-4-3-7-22-8-15/h1-8,16H,9-14H2/t16-,20-/m1/s1
InChIKeyWUHCRYRSUHYORR-OXQOHEQNSA-N
MW356.40 g/mol
LogP2.53
Rot. Bonds5

About [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone

[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone (PubChem CID 97421110) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
PubChem CID97421110
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1
InChIInChI=1S/C20H21FN2O3/c21-18-6-2-1-5-17(18)19(24)23-9-16-11-26-14-20(16,12-23)13-25-10-15-4-3-7-22-8-15/h1-8,16H,9-14H2/t16-,20-/m1/s1
InChIKeyWUHCRYRSUHYORR-OXQOHEQNSA-N
XLogP2.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone (CID 97421110) is [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1C[C@@H]2COC[C@]2(COCc2cccnc2)C1.
What is the InChIKey of [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is WUHCRYRSUHYORR-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-18-6-2-1-5-17(18)19(24)23-9-16-11-26-14-20(16,12-23)13-25-10-15-4-3-7-22-8-15/h1-8,16H,9-14H2/t16-,20-/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone?
[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 97421110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).