methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

C20H20FNO4 — CID 162498059

IUPACmethyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)OC2)[C@@H]1c1cccc(F)c1C1CCC1
InChIInChI=1S/C20H20FNO4/c1-10-15(19(23)25-2)17(18-14(22-10)9-26-20(18)24)12-7-4-8-13(21)16(12)11-5-3-6-11/h4,7-8,11,17,22H,3,5-6,9H2,1-2H3/t17-/m1/s1
InChIKeyUQVOAMCOULBSAX-QGZVFWFLSA-N
MW357.38 g/mol
LogP3.04
Rot. Bonds3

About methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 162498059) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID162498059
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namemethyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)OC2)[C@@H]1c1cccc(F)c1C1CCC1
InChIInChI=1S/C20H20FNO4/c1-10-15(19(23)25-2)17(18-14(22-10)9-26-20(18)24)12-7-4-8-13(21)16(12)11-5-3-6-11/h4,7-8,11,17,22H,3,5-6,9H2,1-2H3/t17-/m1/s1
InChIKeyUQVOAMCOULBSAX-QGZVFWFLSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl (4S)-4-[3-fluoro-2-(2-fluoroethyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 162519206
methyl 2-ethyl-4-(2-ethyl-3-fluorophenyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl 4-(2-ethyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 175883059
methyl (4S)-4-[2-[(1R)-1,2-difluoroethyl]-3-fluorophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 162498027
2-cyclopropyl-3-fluorobenzaldehyde;ethyl 4-chloro-3-oxobutanoate;methyl (Z)-3-aminobut-2-enoate;methyl (4S)-4-(2-cyclopropyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl (4R)-4-(2-cyclopropyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 163990680
3-O-ethyl 5-O-methyl 2-(acetyloxymethyl)-4-[2-(2,2-difluorocyclopropyl)-3-fluorophenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;methyl (4S)-4-[2-[(1R)-2,2-difluorocyclopropyl]-3-fluorophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl (4R)-4-[2-[(1R)-2,2-difluorocyclopropyl]-3-fluorophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl (4S)-4-[2-[(1S)-2,2-difluorocyclopropyl]-3-fluorophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl (4R)-4-[2-[(1S)-2,2-difluorocyclopropyl]-3-fluorophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 163484060
ethyl 4-(2-methoxycarbonylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 13242030
methyl (4R)-4-[3,5-difluoro-2-[(1R)-1-fluoroethyl]phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen
CID 162519203
methyl (4R)-4-[2-(difluoromethoxy)-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen
CID 163553392
4-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid
CID 175395127
methyl (4R)-4-[2-[(1S)-1,2-difluoroethyl]-3-fluorophenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;molecular hydrogen
CID 163941329
methyl (4S,7S)-7-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1110281
ethyl 2-methyl-4-(2-methyl-1-oxidopyridin-1-ium-3-yl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 70489228

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (CID 162498059) is methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)OC2)[C@@H]1c1cccc(F)c1C1CCC1.
What is the InChIKey of methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is UQVOAMCOULBSAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-10-15(19(23)25-2)17(18-14(22-10)9-26-20(18)24)12-7-4-8-13(21)16(12)11-5-3-6-11/h4,7-8,11,17,22H,3,5-6,9H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(2-cyclobutyl-3-fluorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 162498059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).