1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

C16H16F2N2O3S — CID 158544926

IUPAC1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
SMILESCC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C16H16F2N2O3S/c1-8(21)13-5-12(14-6-19-9(2)24-14)11-4-3-10(7-22-16(17)18)23-15(11)20-13/h5-6,10,16H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyDOKSIYOHDJXYFR-SNVBAGLBSA-N
MW354.38 g/mol
LogP3.65
Rot. Bonds5

About 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (PubChem CID 158544926) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
PubChem CID158544926
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
SMILESCC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2
InChIInChI=1S/C16H16F2N2O3S/c1-8(21)13-5-12(14-6-19-9(2)24-14)11-4-3-10(7-22-16(17)18)23-15(11)20-13/h5-6,10,16H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyDOKSIYOHDJXYFR-SNVBAGLBSA-N
XLogP3.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone with MolForge

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Related Compounds

(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 161065883
1-[(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
CID 160705937
ethyl (2R)-2-(difluoromethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396269
(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363916
(2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 134396372
ethyl 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
CID 153078007
ethyl (2S)-2-(2,2-difluoropropyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396365
ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396473
ethyl (2R)-2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396384
ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396379
(2S)-2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363887

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (CID 158544926) is 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.
What is the InChIKey of 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The InChIKey is DOKSIYOHDJXYFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-8(21)13-5-12(14-6-19-9(2)24-14)11-4-3-10(7-22-16(17)18)23-15(11)20-13/h5-6,10,16H,3-4,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone has a molecular weight of 354.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is sourced from PubChem (CID 158544926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).