methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

C18H16F3NO5 — CID 15103584

IUPACmethyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOCC1=C(C(=O)OC)C(c2ccccc2C(F)(F)F)NC2=C1C(=O)OC2
InChIInChI=1S/C18H16F3NO5/c1-25-7-10-13-12(8-27-17(13)24)22-15(14(10)16(23)26-2)9-5-3-4-6-11(9)18(19,20)21/h3-6,15,22H,7-8H2,1-2H3
InChIKeyTYFIBNUFNYXKPJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.28
Rot. Bonds4

About methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 15103584) has the molecular formula C18H16F3NO5 and a molecular weight of 383.32 g/mol. Its IUPAC name is methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID15103584
Molecular FormulaC18H16F3NO5
Molecular Weight383.32 g/mol
Exact Mass383.10
IUPAC Namemethyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCOCC1=C(C(=O)OC)C(c2ccccc2C(F)(F)F)NC2=C1C(=O)OC2
InChIInChI=1S/C18H16F3NO5/c1-25-7-10-13-12(8-27-17(13)24)22-15(14(10)16(23)26-2)9-5-3-4-6-11(9)18(19,20)21/h3-6,15,22H,7-8H2,1-2H3
InChIKeyTYFIBNUFNYXKPJ-UHFFFAOYSA-N
XLogP2.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 402867
Ethyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3469383
Ethyl 6-(3,4-difluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17412212
Ethyl 6-(2,6-difluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17474441
4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
CID 10830459
4-butyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-furan-5-one
CID 10852655
Dimethyl 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3,5-dicarboxylate
CID 15670696
2-methylpropyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2831698
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
CID 12529151
Ethyl 3-carbamoyl-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 14855111
2-methylpropyl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 60470137
2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
CID 70354245

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (CID 15103584) is methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is COCC1=C(C(=O)OC)C(c2ccccc2C(F)(F)F)NC2=C1C(=O)OC2.
What is the InChIKey of methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is TYFIBNUFNYXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5/c1-25-7-10-13-12(8-27-17(13)24)22-15(14(10)16(23)26-2)9-5-3-4-6-11(9)18(19,20)21/h3-6,15,22H,7-8H2,1-2H3.
What are the key properties of methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 383.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethyl)-5-oxo-2-[2-(trifluoromethyl)phenyl]-2,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 15103584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).