1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone

C18H18F2N2O2 — CID 158442907

IUPAC1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone
SMILESCC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/C18H18F2N2O2/c1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12/h5,7-8,10,12H,4,6H2,1-3H3/t10-,12+/m1/s1
InChIKeyWPMRLXIGMVRVFM-PWSUYJOCSA-N
MW332.35 g/mol
LogP4.04
Rot. Bonds3

About 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone

1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone (PubChem CID 158442907) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone
PubChem CID158442907
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone
SMILESCC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/C18H18F2N2O2/c1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12/h5,7-8,10,12H,4,6H2,1-3H3/t10-,12+/m1/s1
InChIKeyWPMRLXIGMVRVFM-PWSUYJOCSA-N
XLogP4.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl (1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxylate
CID 134370886
ethyl (1S,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxylate
CID 175232855
(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-8-ethyl-6-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide
CID 174021515
1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
CID 158442906
tert-butyl (15R)-10-(3,5-difluoro-2-pyridinyl)-21-fluoro-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene-3-carboxylate
CID 155311838
1-[4-[[4-(3,5-difluoro-2-pyridinyl)-3-fluorophenyl]sulfonylmethyl]piperidin-1-yl]ethanone
CID 155212849
2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
CID 90084661
5-(3,5-difluoro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 171620971
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
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
1-[(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
CID 160705937
1-(6,7,8-trifluoro-4-methylquinolin-2-yl)ethanone
CID 82576215

Frequently Asked Questions

What is the IUPAC name of 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone (CID 158442907) is 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone is CC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.
What is the InChIKey of 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone?
The InChIKey is WPMRLXIGMVRVFM-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12/h5,7-8,10,12H,4,6H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone?
1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone has a molecular weight of 332.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S,8R)-4-(3,5-difluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 158442907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).