[4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone

C347H343Cl2F23N50O62S3 — CID 167612448

About [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone

[4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 167612448) has the molecular formula C347H343Cl2F23N50O62S3 and a molecular weight of 6817.96 g/mol. Its IUPAC name is [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

• Compound Name: [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone
• PubChem CID: 167612448
• Molecular Formula: C347H343Cl2F23N50O62S3
• Molecular Weight: 6817.96 g/mol
• Exact Mass: 6812.39
• IUPAC Name: [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone
• SMILES: COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3C)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(N)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN2CCN(C(C)=O)CC2)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN2CCN(S(C)(=O)=O)CC2)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNS(C)(=O)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNS(N)(=O)=O)OC1.[2H]C([2H])([2H])C([2H])([2H])Oc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.[2H]C([2H])([2H])Oc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1
• InChI: InChI=1S/C33H35F2N5O5.C32H35F2N5O6S.C30H30F2N4O5.C29H27ClF2N4O5.C29H27F3N4O5.C29H28F2N4O5.C28H28ClN3O5.C28H26F3N5O5.C28H28F2N4O6S.C27H25F3N4O4.C27H27F2N5O6S.C27H27N3O5/c1-20(41)40-13-11-39(12-14-40)18-23-8-7-21(19-44-23)38-31-29(43-2)17-37-33-30(31)25(16-36-33)32(42)24-10-9-22(15-27(24)35)45-28-6-4-3-5-26(28)34;1-43-28-17-36-32-29(30(28)37-20-7-8-22(44-19-20)18-38-11-13-39(14-12-38)46(2,41)42)24(16-35-32)31(40)23-10-9-21(15-26(23)34)45-27-6-4-3-5-25(27)33;1-16-11-19(41-29-23(31)5-4-6-24(29)32)9-10-21(16)28(38)22-13-34-30-26(22)27(25(39-3)14-35-30)36-18-7-8-20(40-15-18)12-33-17(2)37;1-15(37)33-11-18-7-6-16(14-40-18)36-26-24(39-2)13-35-29-25(26)20(12-34-29)27(38)19-9-8-17(10-21(19)30)41-28-22(31)4-3-5-23(28)32;1-15(37)33-11-18-7-6-16(14-40-18)36-26-24(39-2)13-35-29-25(26)20(12-34-29)27(38)19-9-8-17(10-23(19)32)41-28-21(30)4-3-5-22(28)31;1-16(36)32-12-19-8-7-17(15-39-19)35-27-25(38-2)14-34-29-26(27)21(13-33-29)28(37)20-10-9-18(11-23(20)31)40-24-6-4-3-5-22(24)30;1-2-35-24-14-31-28-25(26(24)32-17-8-9-20(15-33)36-16-17)22(13-30-28)27(34)21-11-10-19(12-23(21)29)37-18-6-4-3-5-7-18;1-39-22-12-34-27-23(24(22)36-14-5-6-16(40-13-14)10-35-28(32)38)18(11-33-27)25(37)17-8-7-15(9-21(17)31)41-26-19(29)3-2-4-20(26)30;1-38-24-14-32-28-25(26(24)34-16-7-8-18(39-15-16)12-33-41(2,36)37)20(13-31-28)27(35)19-10-9-17(11-22(19)30)40-23-6-4-3-5-21(23)29;1-36-22-12-33-27-23(24(22)34-14-5-6-16(10-31)37-13-14)18(11-32-27)25(35)17-8-7-15(9-21(17)30)38-26-19(28)3-2-4-20(26)29;1-38-23-13-32-27-24(25(23)34-15-6-7-17(39-14-15)11-33-41(30,36)37)19(12-31-27)26(35)18-9-8-16(10-21(18)29)40-22-5-3-2-4-20(22)28;1-33-23-14-29-27-24(25(23)30-18-9-12-21(15-31)34-16-18)22(13-28-27)26(32)17-7-10-20(11-8-17)35-19-5-3-2-4-6-19/h3-6,9-10,15-17,21,23H,7-8,11-14,18-19H2,1-2H3,(H2,36,37,38);3-6,9-10,15-17,20,22H,7-8,11-14,18-19H2,1-2H3,(H2,35,36,37);4-6,9-11,13-14,18,20H,7-8,12,15H2,1-3H3,(H,33,37)(H2,34,35,36);2*3-5,8-10,12-13,16,18H,6-7,11,14H2,1-2H3,(H,33,37)(H2,34,35,36);3-6,9-11,13-14,17,19H,7-8,12,15H2,1-2H3,(H,32,36)(H2,33,34,35);3-7,10-14,17,20,33H,2,8-9,15-16H2,1H3,(H2,30,31,32);2-4,7-9,11-12,14,16H,5-6,10,13H2,1H3,(H3,32,35,38)(H2,33,34,36);3-6,9-11,13-14,16,18,33H,7-8,12,15H2,1-2H3,(H2,31,32,34);2-4,7-9,11-12,14,16H,5-6,10,13,31H2,1H3,(H2,32,33,34);2-5,8-10,12-13,15,17,33H,6-7,11,14H2,1H3,(H2,30,36,37)(H2,31,32,34);2-8,10-11,13-14,18,21,31H,9,12,15-16H2,1H3,(H2,28,29,30)/t21-,23+;20-,22+;18-,20+;2*16-,18+;17-,19+;17-,20+;14-,16+;16-,18+;14-,16+;15-,17+;18-,21+/m111111111111/s1/i;;;;;;1D3,2D2;;;;;1D3
• InChIKey: LGFHGRUSNIUHRA-UYJINYESSA-N
• XLogP: 58.10
• TPSA: 1446.17 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 89
• Rotatable Bonds: 111
• Heavy Atoms: 487
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6817.96
LogP ≤ 5	58.10
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	89

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The IUPAC name of [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone (CID 167612448) is [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone.

What is the SMILES notation for [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The canonical SMILES for [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone is COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3C)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4c(F)cccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(N)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN2CCN(C(C)=O)CC2)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CN2CCN(S(C)(=O)=O)CC2)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNC(C)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNS(C)(=O)=O)OC1.COc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3F)c2c1N[C@@H]1CC[C@@H](CNS(N)(=O)=O)OC1.[2H]C([2H])([2H])C([2H])([2H])Oc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.[2H]C([2H])([2H])Oc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1.

What is the InChIKey of [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The InChIKey is LGFHGRUSNIUHRA-UYJINYESSA-N. The full InChI is InChI=1S/C33H35F2N5O5.C32H35F2N5O6S.C30H30F2N4O5.C29H27ClF2N4O5.C29H27F3N4O5.C29H28F2N4O5.C28H28ClN3O5.C28H26F3N5O5.C28H28F2N4O6S.C27H25F3N4O4.C27H27F2N5O6S.C27H27N3O5/c1-20(41)40-13-11-39(12-14-40)18-23-8-7-21(19-44-23)38-31-29(43-2)17-37-33-30(31)25(16-36-33)32(42)24-10-9-22(15-27(24)35)45-28-6-4-3-5-26(28)34;1-43-28-17-36-32-29(30(28)37-20-7-8-22(44-19-20)18-38-11-13-39(14-12-38)46(2,41)42)24(16-35-32)31(40)23-10-9-21(15-26(23)34)45-27-6-4-3-5-25(27)33;1-16-11-19(41-29-23(31)5-4-6-24(29)32)9-10-21(16)28(38)22-13-34-30-26(22)27(25(39-3)14-35-30)36-18-7-8-20(40-15-18)12-33-17(2)37;1-15(37)33-11-18-7-6-16(14-40-18)36-26-24(39-2)13-35-29-25(26)20(12-34-29)27(38)19-9-8-17(10-21(19)30)41-28-22(31)4-3-5-23(28)32;1-15(37)33-11-18-7-6-16(14-40-18)36-26-24(39-2)13-35-29-25(26)20(12-34-29)27(38)19-9-8-17(10-23(19)32)41-28-21(30)4-3-5-22(28)31;1-16(36)32-12-19-8-7-17(15-39-19)35-27-25(38-2)14-34-29-26(27)21(13-33-29)28(37)20-10-9-18(11-23(20)31)40-24-6-4-3-5-22(24)30;1-2-35-24-14-31-28-25(26(24)32-17-8-9-20(15-33)36-16-17)22(13-30-28)27(34)21-11-10-19(12-23(21)29)37-18-6-4-3-5-7-18;1-39-22-12-34-27-23(24(22)36-14-5-6-16(40-13-14)10-35-28(32)38)18(11-33-27)25(37)17-8-7-15(9-21(17)31)41-26-19(29)3-2-4-20(26)30;1-38-24-14-32-28-25(26(24)34-16-7-8-18(39-15-16)12-33-41(2,36)37)20(13-31-28)27(35)19-10-9-17(11-22(19)30)40-23-6-4-3-5-21(23)29;1-36-22-12-33-27-23(24(22)34-14-5-6-16(10-31)37-13-14)18(11-32-27)25(35)17-8-7-15(9-21(17)30)38-26-19(28)3-2-4-20(26)29;1-38-23-13-32-27-24(25(23)34-15-6-7-17(39-14-15)11-33-41(30,36)37)19(12-31-27)26(35)18-9-8-16(10-21(18)29)40-22-5-3-2-4-20(22)28;1-33-23-14-29-27-24(25(23)30-18-9-12-21(15-31)34-16-18)22(13-28-27)26(32)17-7-10-20(11-8-17)35-19-5-3-2-4-6-19/h3-6,9-10,15-17,21,23H,7-8,11-14,18-19H2,1-2H3,(H2,36,37,38);3-6,9-10,15-17,20,22H,7-8,11-14,18-19H2,1-2H3,(H2,35,36,37);4-6,9-11,13-14,18,20H,7-8,12,15H2,1-3H3,(H,33,37)(H2,34,35,36);2*3-5,8-10,12-13,16,18H,6-7,11,14H2,1-2H3,(H,33,37)(H2,34,35,36);3-6,9-11,13-14,17,19H,7-8,12,15H2,1-2H3,(H,32,36)(H2,33,34,35);3-7,10-14,17,20,33H,2,8-9,15-16H2,1H3,(H2,30,31,32);2-4,7-9,11-12,14,16H,5-6,10,13H2,1H3,(H3,32,35,38)(H2,33,34,36);3-6,9-11,13-14,16,18,33H,7-8,12,15H2,1-2H3,(H2,31,32,34);2-4,7-9,11-12,14,16H,5-6,10,13,31H2,1H3,(H2,32,33,34);2-5,8-10,12-13,15,17,33H,6-7,11,14H2,1H3,(H2,30,36,37)(H2,31,32,34);2-8,10-11,13-14,18,21,31H,9,12,15-16H2,1H3,(H2,28,29,30)/t21-,23+;20-,22+;18-,20+;2*16-,18+;17-,19+;17-,20+;14-,16+;16-,18+;14-,16+;15-,17+;18-,21+/m111111111111/s1/i;;;;;;1D3,2D2;;;;;1D3.

What are the key properties of [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

[4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 6817.96 g/mol, XLogP of 58.10, 111 rotatable bonds, 36 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(3R,6S)-6-(aminomethyl)oxan-3-yl]amino]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2,6-difluorophenoxy)-2-fluorophenyl]methanone;N-[[(2S,5R)-5-[[3-[2-chloro-4-(2,6-difluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(1,1,2,2,2-pentadeuterioethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-fluorobenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methylurea;N-[[(2S,5R)-5-[[3-[4-(2,6-difluorophenoxy)-2-methylbenzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]acetamide;N-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]methanesulfonamide;1-[4-[[(2S,5R)-5-[[3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]ethanone;3-[2-fluoro-4-(2-fluorophenoxy)benzoyl]-5-methoxy-4-[[(3R,6S)-6-[(sulfamoylamino)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-4-(2-fluorophenoxy)phenyl]-[5-methoxy-4-[[(3R,6S)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(trideuteriomethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 167612448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).