methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

C17H14F4N2O4 — CID 168937489

IUPACmethyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C(F)F)NC2=C(C(=O)OC2)C1c1cncc(F)c1C(C)F
InChIInChI=1S/C17H14F4N2O4/c1-6(18)10-7(3-22-4-8(10)19)11-12-9(5-27-17(12)25)23-14(15(20)21)13(11)16(24)26-2/h3-4,6,11,15,23H,5H2,1-2H3
InChIKeyFQDUNOJDXYAJPI-UHFFFAOYSA-N
MW386.30 g/mol
LogP2.44
Rot. Bonds4

About methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 168937489) has the molecular formula C17H14F4N2O4 and a molecular weight of 386.30 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID168937489
Molecular FormulaC17H14F4N2O4
Molecular Weight386.30 g/mol
Exact Mass386.09
IUPAC Namemethyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C(F)F)NC2=C(C(=O)OC2)C1c1cncc(F)c1C(C)F
InChIInChI=1S/C17H14F4N2O4/c1-6(18)10-7(3-22-4-8(10)19)11-12-9(5-27-17(12)25)23-14(15(20)21)13(11)16(24)26-2/h3-4,6,11,15,23H,5H2,1-2H3
InChIKeyFQDUNOJDXYAJPI-UHFFFAOYSA-N
XLogP2.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl (4S)-2-(difluoromethyl)-4-[5-fluoro-4-[(1R)-1-fluoroethyl]-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 168937493
methyl (4S)-4-[5-fluoro-4-[(1R)-1-fluoroethyl]-3-pyridinyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 168937467
methyl (4R)-4-[3,5-difluoro-2-[(1S)-1-fluoroethyl]phenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;methyl (4R)-4-[3,5-difluoro-2-[(1R)-1-fluoroethyl]phenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 163412060
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 (4S)-4-(4-ethyl-3-pyridinyl)-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 168937492
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)-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
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
(4R)-4-[3-fluoro-2-[(1R)-1-fluoroethyl]phenyl]-2-(fluoromethyl)-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid
CID 175392553
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
methyl (4S)-1-[2,6-difluoro-3-[(1S)-1-fluoroethyl]-4-[(4S)-3-methoxycarbonyl-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridin-4-yl]phenyl]-4-[3,5-difluoro-2-[(1R)-1-fluoroethyl]phenyl]-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 166890162
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (CID 168937489) is methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is COC(=O)C1=C(C(F)F)NC2=C(C(=O)OC2)C1c1cncc(F)c1C(C)F.
What is the InChIKey of methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is FQDUNOJDXYAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O4/c1-6(18)10-7(3-22-4-8(10)19)11-12-9(5-27-17(12)25)23-14(15(20)21)13(11)16(24)26-2/h3-4,6,11,15,23H,5H2,1-2H3.
What are the key properties of methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 386.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-4-[5-fluoro-4-(1-fluoroethyl)-3-pyridinyl]-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 168937489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).