1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

C246H312N52O13S14 — CID 167693529

IUPAC1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCNS(=O)(=O)CCN1C[C@@H]2CC1C[C@H]2c1sc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)N4CCC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)NC4COC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCCS(C)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(=O)(=O)N(C)C)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(C)(=O)=O)cc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(N)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C29H36N6O2S.C29H36N6OS.C28H38N6O2S2.C28H37N5O2S2.C27H36N6O2S2.C27H32N6S.C26H34N6O2S2.C26H30N6S.C26H33N5O2S2/c1-14(2)24-25-17(5)27(21-7-20-6-18(21)8-34(20)10-23(36)32-19-11-37-12-19)38-29(25)33-26(24)22-9-35-28(30-13-31-35)16(4)15(22)3;1-15(2)24-25-18(5)27(21-10-20-9-19(21)11-34(20)13-23(36)33-7-6-8-33)37-29(25)32-26(24)22-12-35-28(30-14-31-35)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-33(20)8-9-38(35,36)32(6)7)37-28(24)31-25(23)22-13-34-27(29-14-30-34)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-32(20)8-7-9-37(6,34)35)36-28(24)31-25(23)22-13-33-27(29-14-30-33)17(4)16(22)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)7-8-37(34,35)28-6)36-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)8-6-7-28)34-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)6-7-36(27,33)34)35-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)7-6-27)33-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-14(2)23-20-10-22(19-9-18-8-17(19)11-30(18)6-7-35(5,32)33)34-26(20)29-24(23)21-12-31-25(27-13-28-31)16(4)15(21)3/h9,13-14,18-21,33H,6-8,10-12H2,1-5H3,(H,32,36);12,14-15,19-21,32H,6-11,13H2,1-5H3;13-15,19-21,31H,8-12H2,1-7H3;13-15,19-21,31H,7-12H2,1-6H3;12-14,18-20,28,31H,7-11H2,1-6H3;12-14,18-20,31H,6,8-11H2,1-5H3;11-13,17-19,30H,6-10H2,1-5H3,(H2,27,33,34);11-13,17-19,30H,7-10H2,1-5H3;10,12-14,17-19,29H,6-9,11H2,1-5H3/t18-,20?,21+;3*19-,20?,21+;2*18-,19?,20+;3*17-,18?,19+/m000000000/s1
InChIKeyXHNRDXLOIQSMTC-DSUJQDPSSA-N
MW4654.49 g/mol
LogP46.57
Rot. Bonds53

About 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (PubChem CID 167693529) has the molecular formula C246H312N52O13S14 and a molecular weight of 4654.49 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
PubChem CID167693529
Molecular FormulaC246H312N52O13S14
Molecular Weight4654.49 g/mol
Exact Mass4650.14
IUPAC Name1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCNS(=O)(=O)CCN1C[C@@H]2CC1C[C@H]2c1sc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)N4CCC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)NC4COC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCCS(C)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(=O)(=O)N(C)C)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(C)(=O)=O)cc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(N)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C29H36N6O2S.C29H36N6OS.C28H38N6O2S2.C28H37N5O2S2.C27H36N6O2S2.C27H32N6S.C26H34N6O2S2.C26H30N6S.C26H33N5O2S2/c1-14(2)24-25-17(5)27(21-7-20-6-18(21)8-34(20)10-23(36)32-19-11-37-12-19)38-29(25)33-26(24)22-9-35-28(30-13-31-35)16(4)15(22)3;1-15(2)24-25-18(5)27(21-10-20-9-19(21)11-34(20)13-23(36)33-7-6-8-33)37-29(25)32-26(24)22-12-35-28(30-14-31-35)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-33(20)8-9-38(35,36)32(6)7)37-28(24)31-25(23)22-13-34-27(29-14-30-34)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-32(20)8-7-9-37(6,34)35)36-28(24)31-25(23)22-13-33-27(29-14-30-33)17(4)16(22)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)7-8-37(34,35)28-6)36-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)8-6-7-28)34-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)6-7-36(27,33)34)35-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)7-6-27)33-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-14(2)23-20-10-22(19-9-18-8-17(19)11-30(18)6-7-35(5,32)33)34-26(20)29-24(23)21-12-31-25(27-13-28-31)16(4)15(21)3/h9,13-14,18-21,33H,6-8,10-12H2,1-5H3,(H,32,36);12,14-15,19-21,32H,6-11,13H2,1-5H3;13-15,19-21,31H,8-12H2,1-7H3;13-15,19-21,31H,7-12H2,1-6H3;12-14,18-20,28,31H,7-11H2,1-6H3;12-14,18-20,31H,6,8-11H2,1-5H3;11-13,17-19,30H,6-10H2,1-5H3,(H2,27,33,34);11-13,17-19,30H,7-10H2,1-5H3;10,12-14,17-19,29H,6-9,11H2,1-5H3/t18-,20?,21+;3*19-,20?,21+;2*18-,19?,20+;3*17-,18?,19+/m000000000/s1
InChIKeyXHNRDXLOIQSMTC-DSUJQDPSSA-N
XLogP46.57
TPSA761.19 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds53
Heavy Atoms325
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004654.49
LogP ≤ 546.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Analyze 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (CID 167693529) is 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is CNS(=O)(=O)CCN1C[C@@H]2CC1C[C@H]2c1sc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)N4CCC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CC(=O)NC4COC4)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCC#N)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCCS(C)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(=O)(=O)N(C)C)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(C)(=O)=O)cc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc([C@@H]4CC5C[C@H]4CN5CCS(N)(=O)=O)c(C)c3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The InChIKey is XHNRDXLOIQSMTC-DSUJQDPSSA-N. The full InChI is InChI=1S/C29H36N6O2S.C29H36N6OS.C28H38N6O2S2.C28H37N5O2S2.C27H36N6O2S2.C27H32N6S.C26H34N6O2S2.C26H30N6S.C26H33N5O2S2/c1-14(2)24-25-17(5)27(21-7-20-6-18(21)8-34(20)10-23(36)32-19-11-37-12-19)38-29(25)33-26(24)22-9-35-28(30-13-31-35)16(4)15(22)3;1-15(2)24-25-18(5)27(21-10-20-9-19(21)11-34(20)13-23(36)33-7-6-8-33)37-29(25)32-26(24)22-12-35-28(30-14-31-35)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-33(20)8-9-38(35,36)32(6)7)37-28(24)31-25(23)22-13-34-27(29-14-30-34)17(4)16(22)3;1-15(2)23-24-18(5)26(21-11-20-10-19(21)12-32(20)8-7-9-37(6,34)35)36-28(24)31-25(23)22-13-33-27(29-14-30-33)17(4)16(22)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)7-8-37(34,35)28-6)36-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-14(2)22-23-17(5)25(20-10-19-9-18(20)11-32(19)8-6-7-28)34-27(23)31-24(22)21-12-33-26(29-13-30-33)16(4)15(21)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)6-7-36(27,33)34)35-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-13(2)21-22-16(5)24(19-9-18-8-17(19)10-31(18)7-6-27)33-26(22)30-23(21)20-11-32-25(28-12-29-32)15(4)14(20)3;1-14(2)23-20-10-22(19-9-18-8-17(19)11-30(18)6-7-35(5,32)33)34-26(20)29-24(23)21-12-31-25(27-13-28-31)16(4)15(21)3/h9,13-14,18-21,33H,6-8,10-12H2,1-5H3,(H,32,36);12,14-15,19-21,32H,6-11,13H2,1-5H3;13-15,19-21,31H,8-12H2,1-7H3;13-15,19-21,31H,7-12H2,1-6H3;12-14,18-20,28,31H,7-11H2,1-6H3;12-14,18-20,31H,6,8-11H2,1-5H3;11-13,17-19,30H,6-10H2,1-5H3,(H2,27,33,34);11-13,17-19,30H,7-10H2,1-5H3;10,12-14,17-19,29H,6-9,11H2,1-5H3/t18-,20?,21+;3*19-,20?,21+;2*18-,19?,20+;3*17-,18?,19+/m000000000/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole has a molecular weight of 4654.49 g/mol, XLogP of 46.57, 53 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[(4R,5R)-2-(3-methylsulfonylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]acetonitrile;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N,N-dimethylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-methylethanesulfonamide;2-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-N-(oxetan-3-yl)acetamide;3-[(4R,5R)-5-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propanenitrile;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4R,5R)-2-(2-methylsulfonylethyl)-2-azabicyclo[2.2.1]heptan-5-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 167693529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).