ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate

C23H27F3N2O3 — CID 134396379

IUPACethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2F)c2c(n1)OC(CN(C)CC(C)(F)F)CC2
InChIInChI=1S/C23H27F3N2O3/c1-5-30-22(29)20-11-18(16-8-6-14(2)10-19(16)24)17-9-7-15(31-21(17)27-20)12-28(4)13-23(3,25)26/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3
InChIKeyPNMMGBWXCCSLRI-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.65
Rot. Bonds7

About ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate

ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate (PubChem CID 134396379) has the molecular formula C23H27F3N2O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
PubChem CID134396379
Molecular FormulaC23H27F3N2O3
Molecular Weight436.47 g/mol
Exact Mass436.20
IUPAC Nameethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2F)c2c(n1)OC(CN(C)CC(C)(F)F)CC2
InChIInChI=1S/C23H27F3N2O3/c1-5-30-22(29)20-11-18(16-8-6-14(2)10-19(16)24)17-9-7-15(31-21(17)27-20)12-28(4)13-23(3,25)26/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3
InChIKeyPNMMGBWXCCSLRI-UHFFFAOYSA-N
XLogP4.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 (2S)-2-(2,2-difluoropropyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396365
ethyl (2R)-2-(difluoromethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396269
ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396473
5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363734
ethyl 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
(2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 134396372
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;ethyl (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl (2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159224273
ethyl 5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methanol
CID 142316400
(2R)-5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134396225
2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 142316375
7-chloro-5-(2-fluoro-4-methylphenyl)-N-methoxy-N-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxamide
CID 134396255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The IUPAC name of 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) is ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cc2F)c2c(n1)OC(CN(C)CC(C)(F)F)CC2.
What is the InChIKey of ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The InChIKey is PNMMGBWXCCSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3/c1-5-30-22(29)20-11-18(16-8-6-14(2)10-19(16)24)17-9-7-15(31-21(17)27-20)12-28(4)13-23(3,25)26/h6,8,10-11,15H,5,7,9,12-13H2,1-4H3.
What are the key properties of ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2,2-difluoropropyl(methyl)amino]methyl]-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate is sourced from PubChem (CID 134396379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).