1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

C168H154Cl2F23N19O27S2 — CID 158544920

IUPAC1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CO)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ncc(F)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/C18H18ClFN2O2.C18H16F3NO3.C17H14ClFN2O2.C17H14F2N2O2.2C17H15F2NO3.2C16H15F4N3O3.2C16H16F2N2O3S/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;1-10(23)16-8-15(11-2-4-12(19)5-3-11)14-7-6-13(9-24-18(20)21)25-17(14)22-16;2*1-8(22)14-6-12(16-13(19)4-9(18)7-20-16)11-5-10-2-3-15(23-10)17(11)21-14;2*1-9(22)16-7-14(12-4-2-10(18)6-15(12)19)13-5-3-11(8-21)23-17(13)20-16;2*1-8(24)13-4-12(9-5-21-23(6-9)15(17)18)11-3-2-10(7-25-16(19)20)26-14(11)22-13;2*1-8(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/h5,7-8,10,12H,4,6H2,1-3H3;2-5,8,13,18H,6-7,9H2,1H3;2*4,6-7,10,15H,2-3,5H2,1H3;2*2,4,6-7,11,21H,3,5,8H2,1H3;2*4-6,10,15-16H,2-3,7H2,1H3;2*5-6,10,16H,3-4,7H2,1-2H3/t10-,12+;13-;2*10-,15+;2*11-;4*10-/m1111101010/s1
InChIKeyHOZLXTHQCWLHHZ-RNTZFKQBSA-N
MW3443.18 g/mol
LogP35.97
Rot. Bonds40

About 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (PubChem CID 158544920) has the molecular formula C168H154Cl2F23N19O27S2 and a molecular weight of 3443.18 g/mol. Its IUPAC name is 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.

Molecular Properties

Compound Name1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
PubChem CID158544920
Molecular FormulaC168H154Cl2F23N19O27S2
Molecular Weight3443.18 g/mol
Exact Mass3439.97
IUPAC Name1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CO)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ncc(F)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/C18H18ClFN2O2.C18H16F3NO3.C17H14ClFN2O2.C17H14F2N2O2.2C17H15F2NO3.2C16H15F4N3O3.2C16H16F2N2O3S/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;1-10(23)16-8-15(11-2-4-12(19)5-3-11)14-7-6-13(9-24-18(20)21)25-17(14)22-16;2*1-8(22)14-6-12(16-13(19)4-9(18)7-20-16)11-5-10-2-3-15(23-10)17(11)21-14;2*1-9(22)16-7-14(12-4-2-10(18)6-15(12)19)13-5-3-11(8-21)23-17(13)20-16;2*1-8(24)13-4-12(9-5-21-23(6-9)15(17)18)11-3-2-10(7-25-16(19)20)26-14(11)22-13;2*1-8(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/h5,7-8,10,12H,4,6H2,1-3H3;2-5,8,13,18H,6-7,9H2,1H3;2*4,6-7,10,15H,2-3,5H2,1H3;2*2,4,6-7,11,21H,3,5,8H2,1H3;2*4-6,10,15-16H,2-3,7H2,1H3;2*5-6,10,16H,3-4,7H2,1-2H3/t10-,12+;13-;2*10-,15+;2*11-;4*10-/m1111101010/s1
InChIKeyHOZLXTHQCWLHHZ-RNTZFKQBSA-N
XLogP35.97
TPSA578.60 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003443.18
LogP ≤ 535.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Analyze 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The IUPAC name of 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (CID 158544920) is 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.
What is the SMILES notation for 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The canonical SMILES for 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CO)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2.CC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ncc(F)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.
What is the InChIKey of 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The InChIKey is HOZLXTHQCWLHHZ-RNTZFKQBSA-N. The full InChI is InChI=1S/C18H18ClFN2O2.C18H16F3NO3.C17H14ClFN2O2.C17H14F2N2O2.2C17H15F2NO3.2C16H15F4N3O3.2C16H16F2N2O3S/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;1-10(23)16-8-15(11-2-4-12(19)5-3-11)14-7-6-13(9-24-18(20)21)25-17(14)22-16;2*1-8(22)14-6-12(16-13(19)4-9(18)7-20-16)11-5-10-2-3-15(23-10)17(11)21-14;2*1-9(22)16-7-14(12-4-2-10(18)6-15(12)19)13-5-3-11(8-21)23-17(13)20-16;2*1-8(24)13-4-12(9-5-21-23(6-9)15(17)18)11-3-2-10(7-25-16(19)20)26-14(11)22-13;2*1-8(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/h5,7-8,10,12H,4,6H2,1-3H3;2-5,8,13,18H,6-7,9H2,1H3;2*4,6-7,10,15H,2-3,5H2,1H3;2*2,4,6-7,11,21H,3,5,8H2,1H3;2*4-6,10,15-16H,2-3,7H2,1H3;2*5-6,10,16H,3-4,7H2,1-2H3/t10-,12+;13-;2*10-,15+;2*11-;4*10-/m1111101010/s1.
What are the key properties of 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone has a molecular weight of 3443.18 g/mol, XLogP of 35.97, 40 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S,8R)-4-(5-chloro-3-fluoro-2-pyridinyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-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;1-[(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1S,9R)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is sourced from PubChem (CID 158544920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).