5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione

C20H20FNO3 — CID 155384881

IUPAC5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCc2ccc(F)cc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C20H20FNO3/c1-20(11-2-3-13-4-6-14(21)7-5-13)16-10-12-22(15-8-9-15)18(23)17(16)19(24)25-20/h4-7,10,12,15H,2-3,8-9,11H2,1H3
InChIKeyFGEDEMGDHWXALQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.73
Rot. Bonds5

About 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione

5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 155384881) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
PubChem CID155384881
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(CCCc2ccc(F)cc2)OC(=O)c2c1ccn(C1CC1)c2=O
InChIInChI=1S/C20H20FNO3/c1-20(11-2-3-13-4-6-14(21)7-5-13)16-10-12-22(15-8-9-15)18(23)17(16)19(24)25-20/h4-7,10,12,15H,2-3,8-9,11H2,1H3
InChIKeyFGEDEMGDHWXALQ-UHFFFAOYSA-N
XLogP3.73
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopropyl-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 155384877
5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71744954
5-[2-(4-Fluorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
CID 70692327
1,1-dimethyl-5-phenethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70694388
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602492
1,5-Dimethyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602621
5-Cyclopropyl-1-[2-(4-fluorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384863
N-cyclopropyl-N-[(Z)-2-[2-[3-(4-fluorophenyl)propyl]-2,4-dimethyl-5-oxofuran-3-yl]ethenyl]formamide
CID 155394894
Methyl 1-cyclopropyl-8-[3-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-9-methyl-4-oxoquinolizine-3-carboxylate
CID 159269704
Methyl 1-cyclopropyl-8-[3-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-4-oxoquinolizine-3-carboxylate
CID 160147259
N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)-2H-pyran-3-carboxamide
CID 170509089
3-[(3-fluoro-1-azetidinyl)carbonyl]-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170509952

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione (CID 155384881) is 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione is CC1(CCCc2ccc(F)cc2)OC(=O)c2c1ccn(C1CC1)c2=O.
What is the InChIKey of 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is FGEDEMGDHWXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-20(11-2-3-13-4-6-14(21)7-5-13)16-10-12-22(15-8-9-15)18(23)17(16)19(24)25-20/h4-7,10,12,15H,2-3,8-9,11H2,1H3.
What are the key properties of 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione?
5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 341.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155384881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).