1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

C177H149Cl2F30N13O22 — CID 161034976

IUPAC1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C(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)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ccc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)COCC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1
InChIInChI=1S/C19H19ClFNO2.2C19H17F4NO3.C18H15ClFNO2.C18H14F5NO2.C18H15F2NO2.C17H13F5N2O2.C17H13F4NO2.C17H14F2N2O2.C15H12F2N2O2/c1-4-13-8-16-15(14-6-5-12(20)7-17(14)21)9-18(10(2)23)22-19(16)11(3)24-13;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;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;1-9(25)16-7-14(12-4-2-10(19)6-15(12)20)13-5-3-11(8-18(21,22)23)26-17(13)24-16;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;18-8-1-3-10(13(19)5-8)12-6-14(15(23)25)24-16-11(12)4-2-9(26-16)7-17(20,21)22;1-8(23)14-7-12(10-3-2-9(18)6-13(10)19)11-4-5-15(16(20)21)24-17(11)22-14;18-8-1-3-10(13(19)5-8)11-7-14(17(20)22)21-16-12(11)6-9-2-4-15(16)23-9;16-8-1-2-9(12(17)5-8)11-6-13(15(18)20)19-14-7-21-4-3-10(11)14/h5-7,9,11,13H,4,8H2,1-3H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;2,4,6,8,11,17H,3,5,7H2,1H3;2,4,6-7,11H,3,5,8H2,1H3;2,4,6,8,11,17H,3,5,7H2,1H3;1,3,5-6,9H,2,4,7H2,(H2,23,25);2-3,6-7,15-16H,4-5H2,1H3;1,3,5,7,9,15H,2,4,6H2,(H2,20,22);1-2,5-6H,3-4,7H2,(H2,18,20)/t11-,13+;9-,17+;9-,17-;11-,17+;11-;11-,17+;9-;15-;9-,15+;/m101111000./s1
InChIKeyUADBYLMEAFBORZ-AELOFTHVSA-N
MW3451.05 g/mol
LogP40.43
Rot. Bonds30

About 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (PubChem CID 161034976) has the molecular formula C177H149Cl2F30N13O22 and a molecular weight of 3451.05 g/mol. Its IUPAC name is 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
PubChem CID161034976
Molecular FormulaC177H149Cl2F30N13O22
Molecular Weight3451.05 g/mol
Exact Mass3447.98
IUPAC Name1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C(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)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ccc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)COCC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1
InChIInChI=1S/C19H19ClFNO2.2C19H17F4NO3.C18H15ClFNO2.C18H14F5NO2.C18H15F2NO2.C17H13F5N2O2.C17H13F4NO2.C17H14F2N2O2.C15H12F2N2O2/c1-4-13-8-16-15(14-6-5-12(20)7-17(14)21)9-18(10(2)23)22-19(16)11(3)24-13;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;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;1-9(25)16-7-14(12-4-2-10(19)6-15(12)20)13-5-3-11(8-18(21,22)23)26-17(13)24-16;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;18-8-1-3-10(13(19)5-8)12-6-14(15(23)25)24-16-11(12)4-2-9(26-16)7-17(20,21)22;1-8(23)14-7-12(10-3-2-9(18)6-13(10)19)11-4-5-15(16(20)21)24-17(11)22-14;18-8-1-3-10(13(19)5-8)11-7-14(17(20)22)21-16-12(11)6-9-2-4-15(16)23-9;16-8-1-2-9(12(17)5-8)11-6-13(15(18)20)19-14-7-21-4-3-10(11)14/h5-7,9,11,13H,4,8H2,1-3H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;2,4,6,8,11,17H,3,5,7H2,1H3;2,4,6-7,11H,3,5,8H2,1H3;2,4,6,8,11,17H,3,5,7H2,1H3;1,3,5-6,9H,2,4,7H2,(H2,23,25);2-3,6-7,15-16H,4-5H2,1H3;1,3,5,7,9,15H,2,4,6H2,(H2,20,22);1-2,5-6H,3-4,7H2,(H2,18,20)/t11-,13+;9-,17+;9-,17-;11-,17+;11-;11-,17+;9-;15-;9-,15+;/m101111000./s1
InChIKeyUADBYLMEAFBORZ-AELOFTHVSA-N
XLogP40.43
TPSA488.42 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003451.05
LogP ≤ 540.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

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

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What is the IUPAC name of 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The IUPAC name of 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (CID 161034976) is 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is CC(=O)c1cc(-c2ccc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C(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)[C@@H]1CC[C@H](C2)O1.CC[C@H]1Cc2c(-c3ccc(Cl)cc3F)cc(C(C)=O)nc2[C@@H](C)O1.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)COCC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1.
What is the InChIKey of 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
The InChIKey is UADBYLMEAFBORZ-AELOFTHVSA-N. The full InChI is InChI=1S/C19H19ClFNO2.2C19H17F4NO3.C18H15ClFNO2.C18H14F5NO2.C18H15F2NO2.C17H13F5N2O2.C17H13F4NO2.C17H14F2N2O2.C15H12F2N2O2/c1-4-13-8-16-15(14-6-5-12(20)7-17(14)21)9-18(10(2)23)22-19(16)11(3)24-13;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;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;1-9(25)16-7-14(12-4-2-10(19)6-15(12)20)13-5-3-11(8-18(21,22)23)26-17(13)24-16;1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;18-8-1-3-10(13(19)5-8)12-6-14(15(23)25)24-16-11(12)4-2-9(26-16)7-17(20,21)22;1-8(23)14-7-12(10-3-2-9(18)6-13(10)19)11-4-5-15(16(20)21)24-17(11)22-14;18-8-1-3-10(13(19)5-8)11-7-14(17(20)22)21-16-12(11)6-9-2-4-15(16)23-9;16-8-1-2-9(12(17)5-8)11-6-13(15(18)20)19-14-7-21-4-3-10(11)14/h5-7,9,11,13H,4,8H2,1-3H3;2*3-4,6-7,9,17,19H,5,8H2,1-2H3;2,4,6,8,11,17H,3,5,7H2,1H3;2,4,6-7,11H,3,5,8H2,1H3;2,4,6,8,11,17H,3,5,7H2,1H3;1,3,5-6,9H,2,4,7H2,(H2,23,25);2-3,6-7,15-16H,4-5H2,1H3;1,3,5,7,9,15H,2,4,6H2,(H2,20,22);1-2,5-6H,3-4,7H2,(H2,18,20)/t11-,13+;9-,17+;9-,17-;11-,17+;11-;11-,17+;9-;15-;9-,15+;/m101111000./s1.
What are the key properties of 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?
1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone has a molecular weight of 3451.05 g/mol, XLogP of 40.43, 30 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S,8R)-4-(4-chloro-2-fluorophenyl)-6-ethyl-8-methyl-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1S,9R)-6-(4-chloro-2-fluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-2-carboxamide;(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;1-[(2R)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is sourced from PubChem (CID 161034976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).