(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

C232H220Cl10F19N39O18 — CID 159072814

IUPAC(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
SMILESCC(C)[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(Cl)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2.C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3C#N)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](n2ccc(-c3c(OC(F)F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@H]1C(=O)Nc2ccn(C)c2-c2ccnc(c2)[C@@H](n2ccc(-c3c(C(F)(F)F)ccc(Cl)c3F)cc2=O)CCC1F.[2H]C([2H])([2H])n1ccc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(C(F)F)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/C32H33Cl2N7O2.C29H24ClF5N4O2.C29H26ClF3N4O3.2C29H28ClF3N4O2.C28H27Cl2F2N5O2.C28H27ClF3N5O3.C28H27ClN6O2/c1-19(2)23-5-4-6-28(26-15-21(9-12-35-26)31-25(36-32(23)43)11-13-39(31)3)40-14-10-20(16-30(40)42)24-17-22(33)7-8-27(24)41-18-29(34)37-38-41;1-15-20(31)5-6-23(22-13-17(7-10-36-22)27-21(37-28(15)41)9-11-38(27)2)39-12-8-16(14-24(39)40)25-18(29(33,34)35)3-4-19(30)26(25)32;1-16-4-3-5-22(21-14-18(8-11-34-21)27-20(35-28(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-23(40-29(32)33)7-6-19(30)26(25)31;2*1-16-4-3-5-23(22-14-18(8-11-34-22)27-21(35-29(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-19(28(32)33)6-7-20(30)26(25)31;1-15-4-3-5-23(36-11-9-17(13-24(36)38)25-19(29)6-7-20(30)26(25)32)21-12-18(8-10-33-21)27-22(35-28(15)39)14-34-37(27)16(2)31;1-15-4-3-5-21(19-12-17(8-10-33-19)26-20(35-27(15)39)14-34-36(26)2)37-11-9-16(13-23(37)38)24-22(40-28(31)32)7-6-18(29)25(24)30;1-17-4-3-5-25(23-12-19(8-10-31-23)27-24(33-28(17)37)16-32-34(27)2)35-11-9-18(13-26(35)36)22-14-21(29)7-6-20(22)15-30/h7-9,11-13,15-19,23,28H,4-6,10,14H2,1-3H3,(H,36,43);3-4,7-15,20,23H,5-6H2,1-2H3,(H,37,41);6-16,22,29H,3-5H2,1-2H3,(H,35,39);2*6-8,10-12,14-16,23,28H,3-5,9,13H2,1-2H3,(H,35,39);6-8,10,12-16,23H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-15,21,28H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-14,16-17,25H,3-5,9,11H2,1-2H3,(H,33,37)/t23-,28-;15-,20?,23+;16-,22+;2*16-,23+;15-,16?,23+;15-,21+;17-,25+/m01111111/s1/i;;;2D3;;;;
InChIKeyJZWOIPHKDBAYBA-XKGAYYSESA-N
MW4561.08 g/mol
LogP52.38
Rot. Bonds26

About (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one (PubChem CID 159072814) has the molecular formula C232H220Cl10F19N39O18 and a molecular weight of 4561.08 g/mol. Its IUPAC name is (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one.

Molecular Properties

Compound Name(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
PubChem CID159072814
Molecular FormulaC232H220Cl10F19N39O18
Molecular Weight4561.08 g/mol
Exact Mass4553.43
IUPAC Name(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
SMILESCC(C)[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(Cl)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2.C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3C#N)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](n2ccc(-c3c(OC(F)F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@H]1C(=O)Nc2ccn(C)c2-c2ccnc(c2)[C@@H](n2ccc(-c3c(C(F)(F)F)ccc(Cl)c3F)cc2=O)CCC1F.[2H]C([2H])([2H])n1ccc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(C(F)F)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/C32H33Cl2N7O2.C29H24ClF5N4O2.C29H26ClF3N4O3.2C29H28ClF3N4O2.C28H27Cl2F2N5O2.C28H27ClF3N5O3.C28H27ClN6O2/c1-19(2)23-5-4-6-28(26-15-21(9-12-35-26)31-25(36-32(23)43)11-13-39(31)3)40-14-10-20(16-30(40)42)24-17-22(33)7-8-27(24)41-18-29(34)37-38-41;1-15-20(31)5-6-23(22-13-17(7-10-36-22)27-21(37-28(15)41)9-11-38(27)2)39-12-8-16(14-24(39)40)25-18(29(33,34)35)3-4-19(30)26(25)32;1-16-4-3-5-22(21-14-18(8-11-34-21)27-20(35-28(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-23(40-29(32)33)7-6-19(30)26(25)31;2*1-16-4-3-5-23(22-14-18(8-11-34-22)27-21(35-29(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-19(28(32)33)6-7-20(30)26(25)31;1-15-4-3-5-23(36-11-9-17(13-24(36)38)25-19(29)6-7-20(30)26(25)32)21-12-18(8-10-33-21)27-22(35-28(15)39)14-34-37(27)16(2)31;1-15-4-3-5-21(19-12-17(8-10-33-19)26-20(35-27(15)39)14-34-36(26)2)37-11-9-16(13-23(37)38)24-22(40-28(31)32)7-6-18(29)25(24)30;1-17-4-3-5-25(23-12-19(8-10-31-23)27-24(33-28(17)37)16-32-34(27)2)35-11-9-18(13-26(35)36)22-14-21(29)7-6-20(22)15-30/h7-9,11-13,15-19,23,28H,4-6,10,14H2,1-3H3,(H,36,43);3-4,7-15,20,23H,5-6H2,1-2H3,(H,37,41);6-16,22,29H,3-5H2,1-2H3,(H,35,39);2*6-8,10-12,14-16,23,28H,3-5,9,13H2,1-2H3,(H,35,39);6-8,10,12-16,23H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-15,21,28H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-14,16-17,25H,3-5,9,11H2,1-2H3,(H,33,37)/t23-,28-;15-,20?,23+;16-,22+;2*16-,23+;15-,16?,23+;15-,21+;17-,25+/m01111111/s1/i;;;2D3;;;;
InChIKeyJZWOIPHKDBAYBA-XKGAYYSESA-N
XLogP52.38
TPSA652.85 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004561.08
LogP ≤ 552.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one?
The IUPAC name of (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one (CID 159072814) is (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one.
What is the SMILES notation for (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one?
The canonical SMILES for (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one is CC(C)[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cc(Cl)nn3)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(Cl)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2.C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3C#N)=CC2=O)c2cc(ccn2)-c2c(cnn2C)NC1=O.C[C@@H]1CCC[C@H](n2ccc(-c3c(OC(F)F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@H]1C(=O)Nc2ccn(C)c2-c2ccnc(c2)[C@@H](n2ccc(-c3c(C(F)(F)F)ccc(Cl)c3F)cc2=O)CCC1F.[2H]C([2H])([2H])n1ccc2c1-c1ccnc(c1)[C@@H](N1CCC(c3c(C(F)F)ccc(Cl)c3F)=CC1=O)CCC[C@@H](C)C(=O)N2.
What is the InChIKey of (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one?
The InChIKey is JZWOIPHKDBAYBA-XKGAYYSESA-N. The full InChI is InChI=1S/C32H33Cl2N7O2.C29H24ClF5N4O2.C29H26ClF3N4O3.2C29H28ClF3N4O2.C28H27Cl2F2N5O2.C28H27ClF3N5O3.C28H27ClN6O2/c1-19(2)23-5-4-6-28(26-15-21(9-12-35-26)31-25(36-32(23)43)11-13-39(31)3)40-14-10-20(16-30(40)42)24-17-22(33)7-8-27(24)41-18-29(34)37-38-41;1-15-20(31)5-6-23(22-13-17(7-10-36-22)27-21(37-28(15)41)9-11-38(27)2)39-12-8-16(14-24(39)40)25-18(29(33,34)35)3-4-19(30)26(25)32;1-16-4-3-5-22(21-14-18(8-11-34-21)27-20(35-28(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-23(40-29(32)33)7-6-19(30)26(25)31;2*1-16-4-3-5-23(22-14-18(8-11-34-22)27-21(35-29(16)39)10-12-36(27)2)37-13-9-17(15-24(37)38)25-19(28(32)33)6-7-20(30)26(25)31;1-15-4-3-5-23(36-11-9-17(13-24(36)38)25-19(29)6-7-20(30)26(25)32)21-12-18(8-10-33-21)27-22(35-28(15)39)14-34-37(27)16(2)31;1-15-4-3-5-21(19-12-17(8-10-33-19)26-20(35-27(15)39)14-34-36(26)2)37-11-9-16(13-23(37)38)24-22(40-28(31)32)7-6-18(29)25(24)30;1-17-4-3-5-25(23-12-19(8-10-31-23)27-24(33-28(17)37)16-32-34(27)2)35-11-9-18(13-26(35)36)22-14-21(29)7-6-20(22)15-30/h7-9,11-13,15-19,23,28H,4-6,10,14H2,1-3H3,(H,36,43);3-4,7-15,20,23H,5-6H2,1-2H3,(H,37,41);6-16,22,29H,3-5H2,1-2H3,(H,35,39);2*6-8,10-12,14-16,23,28H,3-5,9,13H2,1-2H3,(H,35,39);6-8,10,12-16,23H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-15,21,28H,3-5,9,11H2,1-2H3,(H,35,39);6-8,10,12-14,16-17,25H,3-5,9,11H2,1-2H3,(H,33,37)/t23-,28-;15-,20?,23+;16-,22+;2*16-,23+;15-,16?,23+;15-,21+;17-,25+/m01111111/s1/i;;;2D3;;;;.
What are the key properties of (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one?
(9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one has a molecular weight of 4561.08 g/mol, XLogP of 52.38, 26 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3-methyl-9-propan-2-yl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-2-oxo-1-pyridinyl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;4-chloro-2-[1-[(9R,13S)-3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-6-oxo-2,3-dihydropyridin-4-yl]benzonitrile;(9S,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-10-fluoro-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3,6-dichloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one is sourced from PubChem (CID 159072814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).