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

C21H22FNO3 — CID 134396473

IUPACethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2F)c2c(n1)O[C@H](C1CC1)CC2
InChIInChI=1S/C21H22FNO3/c1-3-25-21(24)18-11-16(14-7-4-12(2)10-17(14)22)15-8-9-19(13-5-6-13)26-20(15)23-18/h4,7,10-11,13,19H,3,5-6,8-9H2,1-2H3/t19-/m0/s1
InChIKeyORTLQVBWJFXJHW-IBGZPJMESA-N
MW355.41 g/mol
LogP4.48
Rot. Bonds4

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

ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate (PubChem CID 134396473) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
PubChem CID134396473
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Nameethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2F)c2c(n1)O[C@H](C1CC1)CC2
InChIInChI=1S/C21H22FNO3/c1-3-25-21(24)18-11-16(14-7-4-12(2)10-17(14)22)15-8-9-19(13-5-6-13)26-20(15)23-18/h4,7,10-11,13,19H,3,5-6,8-9H2,1-2H3/t19-/m0/s1
InChIKeyORTLQVBWJFXJHW-IBGZPJMESA-N
XLogP4.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate with MolForge

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Related Compounds

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 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
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 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
(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
(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
ethyl 5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methanol
CID 142316400
(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
CID 159230599
5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 134396547

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The IUPAC name of ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate (CID 134396473) is ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl (2S)-2-cyclopropyl-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)O[C@H](C1CC1)CC2.
What is the InChIKey of ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
The InChIKey is ORTLQVBWJFXJHW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22FNO3/c1-3-25-21(24)18-11-16(14-7-4-12(2)10-17(14)22)15-8-9-19(13-5-6-13)26-20(15)23-18/h4,7,10-11,13,19H,3,5-6,8-9H2,1-2H3/t19-/m0/s1.
What are the key properties of ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate?
ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate is sourced from PubChem (CID 134396473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).