1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

C179H171F29N22O22 — CID 158442902

IUPAC1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/2C20H19F5N2O2.C19H17F5N2O2.2C19H17F4NO3.C18H18F2N2O2.2C16H15F2N3O2.2C16H17N3O2/c2*1-11(28)18-8-16(14-5-3-12(21)7-17(14)22)15-6-4-13(29-19(15)26-18)9-27(2)10-20(23,24)25;1-10(27)17-7-15(13-4-2-11(20)6-16(13)21)14-5-3-12(28-18(14)26-17)8-25-9-19(22,23)24;2*1-9-5-14-13(12-4-3-11(20)6-15(12)21)7-16(10(2)25)24-18(14)27-17(9)8-26-19(22)23;1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12;2*1-8(22)13-5-11(9-6-19-21(7-9)16(17)18)12-4-10-2-3-14(23-10)15(12)20-13;2*1-9(20)14-6-12(10-7-17-19(2)8-10)13-5-11-3-4-15(21-11)16(13)18-14/h2*3,5,7-8,13H,4,6,9-10H2,1-2H3;2,4,6-7,12,25H,3,5,8-9H2,1H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;5,7-8,10,12H,4,6H2,1-3H3;2*5-7,10,14,16H,2-4H2,1H3;2*6-8,11,15H,3-5H2,1-2H3/t2*13-;12-;9-,17+;9-,17-;10-,12+;2*10-,14+;2*11-,15+/m1001011010/s1
InChIKeyHDAMOXPMCLPYRB-DSDKBLGASA-N
MW3533.41 g/mol
LogP37.32
Rot. Bonds38

About 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (PubChem CID 158442902) has the molecular formula C179H171F29N22O22 and a molecular weight of 3533.41 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
PubChem CID158442902
Molecular FormulaC179H171F29N22O22
Molecular Weight3533.41 g/mol
Exact Mass3531.25
IUPAC Name1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1
InChIInChI=1S/2C20H19F5N2O2.C19H17F5N2O2.2C19H17F4NO3.C18H18F2N2O2.2C16H15F2N3O2.2C16H17N3O2/c2*1-11(28)18-8-16(14-5-3-12(21)7-17(14)22)15-6-4-13(29-19(15)26-18)9-27(2)10-20(23,24)25;1-10(27)17-7-15(13-4-2-11(20)6-16(13)21)14-5-3-12(28-18(14)26-17)8-25-9-19(22,23)24;2*1-9-5-14-13(12-4-3-11(20)6-15(12)21)7-16(10(2)25)24-18(14)27-17(9)8-26-19(22)23;1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12;2*1-8(22)13-5-11(9-6-19-21(7-9)16(17)18)12-4-10-2-3-14(23-10)15(12)20-13;2*1-9(20)14-6-12(10-7-17-19(2)8-10)13-5-11-3-4-15(21-11)16(13)18-14/h2*3,5,7-8,13H,4,6,9-10H2,1-2H3;2,4,6-7,12,25H,3,5,8-9H2,1H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;5,7-8,10,12H,4,6H2,1-3H3;2*5-7,10,14,16H,2-4H2,1H3;2*6-8,11,15H,3-5H2,1-2H3/t2*13-;12-;9-,17+;9-,17-;10-,12+;2*10-,14+;2*11-,15+/m1001011010/s1
InChIKeyHDAMOXPMCLPYRB-DSDKBLGASA-N
XLogP37.32
TPSA513.04 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003533.41
LogP ≤ 537.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone with MolForge

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What is the IUPAC name of 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (CID 158442902) is 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-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-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC[C@H]1Cc2c(-c3ncc(F)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.
What is the InChIKey of 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
The InChIKey is HDAMOXPMCLPYRB-DSDKBLGASA-N. The full InChI is InChI=1S/2C20H19F5N2O2.C19H17F5N2O2.2C19H17F4NO3.C18H18F2N2O2.2C16H15F2N3O2.2C16H17N3O2/c2*1-11(28)18-8-16(14-5-3-12(21)7-17(14)22)15-6-4-13(29-19(15)26-18)9-27(2)10-20(23,24)25;1-10(27)17-7-15(13-4-2-11(20)6-16(13)21)14-5-3-12(28-18(14)26-17)8-25-9-19(22,23)24;2*1-9-5-14-13(12-4-3-11(20)6-15(12)21)7-16(10(2)25)24-18(14)27-17(9)8-26-19(22)23;1-4-12-6-13-14(18-15(20)5-11(19)8-21-18)7-16(9(2)23)22-17(13)10(3)24-12;2*1-8(22)13-5-11(9-6-19-21(7-9)16(17)18)12-4-10-2-3-14(23-10)15(12)20-13;2*1-9(20)14-6-12(10-7-17-19(2)8-10)13-5-11-3-4-15(21-11)16(13)18-14/h2*3,5,7-8,13H,4,6,9-10H2,1-2H3;2,4,6-7,12,25H,3,5,8-9H2,1H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;5,7-8,10,12H,4,6H2,1-3H3;2*5-7,10,14,16H,2-4H2,1H3;2*6-8,11,15H,3-5H2,1-2H3/t2*13-;12-;9-,17+;9-,17-;10-,12+;2*10-,14+;2*11-,15+/m1001011010/s1.
What are the key properties of 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?
1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone has a molecular weight of 3533.41 g/mol, XLogP of 37.32, 38 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;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;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-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;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is sourced from PubChem (CID 158442902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).