[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C20H23FN2O2 — CID 53194131

IUPAC[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc2c(c1C(=O)N1CCCC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H23FN2O2/c1-14-19(20(24)23-8-2-3-9-23)17-13-22(10-7-18(17)25-14)12-15-5-4-6-16(21)11-15/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyQMYCFTIMQWOLIF-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.52
Rot. Bonds3

About [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53194131) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53194131
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc2c(c1C(=O)N1CCCC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H23FN2O2/c1-14-19(20(24)23-8-2-3-9-23)17-13-22(10-7-18(17)25-14)12-15-5-4-6-16(21)11-15/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyQMYCFTIMQWOLIF-UHFFFAOYSA-N
XLogP3.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 53194131) is [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is Cc1oc2c(c1C(=O)N1CCCC1)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QMYCFTIMQWOLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-19(20(24)23-8-2-3-9-23)17-13-22(10-7-18(17)25-14)12-15-5-4-6-16(21)11-15/h4-6,11H,2-3,7-10,12-13H2,1H3.
What are the key properties of [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 342.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53194131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).