About (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one (PubChem CID 158046584) has the molecular formula C144H112F30N20O7
and a molecular weight of 2804.55 g/mol. Its IUPAC name is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one (CID 158046584) is (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one is C=C1C=C(c2ccc(-c3cc[nH]c(=O)c3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)C=CN1.C=C1NCc2c1cccc2-c1ccc(C#CC(C)(C)O)nc1[C@@H](CC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21)Cc1cc(F)cc(F)c1.CC(C)(O)C#Cc1ccc(-c2cnc3c(c2)C=CC3)c([C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)Cc2cc(F)cc(F)c2)n1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(-c2cn[nH]n2)ccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one?
The InChIKey is FIZHIHTZFPGLCK-BGSIHNICSA-N. The full InChI is InChI=1S/C38H31F7N4O2.C37H29F7N4O2.C35H27F8N5O2.C34H25F8N7O/c1-19-26-5-4-6-27(30(26)17-46-19)28-8-7-24(9-10-36(2,3)51)47-33(28)21(11-20-12-22(39)15-23(40)13-20)14-25(50)18-49-35-32(34(48-49)38(43,44)45)29-16-31(29)37(35,41)42;1-35(2,50)9-8-25-6-7-27(22-13-20-4-3-5-30(20)45-17-22)32(46-25)21(10-19-11-23(38)15-24(39)12-19)14-26(49)18-48-34-31(33(47-48)37(42,43)44)28-16-29(28)36(34,40)41;1-18-10-20(4-8-44-18)26-2-3-27(21-5-9-45-28(50)15-21)46-30(26)22(11-19-12-23(36)16-24(37)13-19)14-25(49)17-48-32-29(31(47-48)33(38)39)34(40,41)6-7-35(32,42)43;35-21-9-17(10-22(36)13-21)8-19(12-23(50)16-49-31-28(30(47-49)32(37)38)33(39,40)6-7-34(31,41)42)29-24(4-5-26(45-29)27-15-44-48-46-27)20-11-18-2-1-3-25(18)43-14-20/h4-8,12-13,15,21,29,31,46,51H,1,11,14,16-18H2,2-3H3;3-4,6-7,11-13,15,17,21,28-29,50H,5,10,14,16,18H2,1-2H3;2-5,8-10,12-13,15-16,22,33,44H,1,6-7,11,14,17H2,(H,45,50);1-2,4-5,9-11,13-15,19,32H,3,6-8,12,16H2,(H,44,46,48)/t21-,29+,31-;21-,28+,29-;22-;19-/m1111/s1.
What are the key properties of (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one?
(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one has a molecular weight of 2804.55 g/mol, XLogP of 30.86, 36 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(2-methylidene-1H-pyridin-4-yl)-2-pyridinyl]-1H-pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(1-methylidene-2,3-dihydroisoindol-4-yl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158046584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).