tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C146H158Cl3F2N31O22S4 — CID 160575118

About tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 160575118) has the molecular formula C146H158Cl3F2N31O22S4 and a molecular weight of 2971.69 g/mol. Its IUPAC name is tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 160575118
• Molecular Formula: C146H158Cl3F2N31O22S4
• Molecular Weight: 2971.69 g/mol
• Exact Mass: 2968.01
• IUPAC Name: tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(S(C)(=O)=O)cc1F)C2.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(S(C)(=O)=O)cc1F)C2.CS(=O)(=O)N1CCC(n2ncc3c(NC4C[C@@H]5C=C[C@@H](C4)N5C(=O)Nc4ccccc4)ncnc32)CC1.N#Cc1ccc(-n2ccc3c(OC4C[C@@H]5CC[C@@H](C4)N5S(=O)(=O)C4CC4)ncnc32)c(Cl)c1
• InChI: InChI=1S/C25H26ClN5O3.C25H29FN4O5S.C25H30N8O3S.C24H24ClN5O3.C24H27FN4O5S.C23H22ClN5O3S/c1-25(2,3)34-24(32)31-16-5-6-17(31)12-18(11-16)33-23-19-8-9-30(22(19)28-14-29-23)21-7-4-15(13-27)10-20(21)26;1-25(2,3)35-24(31)30-15-5-6-16(30)12-17(11-15)34-23-19-9-10-29(22(19)27-14-28-23)21-8-7-18(13-20(21)26)36(4,32)33;1-37(35,36)31-11-9-19(10-12-31)33-24-22(15-28-33)23(26-16-27-24)29-18-13-20-7-8-21(14-18)32(20)25(34)30-17-5-3-2-4-6-17;1-14(2)32-24(31)30-16-4-5-17(30)11-18(10-16)33-23-19-7-8-29(22(19)27-13-28-23)21-6-3-15(12-26)9-20(21)25;1-14(2)33-24(30)29-15-4-5-16(29)11-17(10-15)34-23-19-8-9-28(22(19)26-13-27-23)21-7-6-18(12-20(21)25)35(3,31)32;24-20-9-14(12-25)1-6-21(20)28-8-7-19-22(28)26-13-27-23(19)32-17-10-15-2-3-16(11-17)29(15)33(30,31)18-4-5-18/h4,7-10,14,16-18H,5-6,11-12H2,1-3H3;7-10,13-17H,5-6,11-12H2,1-4H3;2-8,15-16,18-21H,9-14H2,1H3,(H,30,34)(H,26,27,29);3,6-9,13-14,16-18H,4-5,10-11H2,1-2H3;6-9,12-17H,4-5,10-11H2,1-3H3;1,6-9,13,15-18H,2-5,10-11H2/t16-,17-;15-,16-;20-,21-;16-,17-;2*15-,16-/m000000/s1
• InChIKey: RBAUESFTQJWAKR-UFPGLENFSA-N
• XLogP: 24.92
• TPSA: 620.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 26
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2971.69
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The IUPAC name of tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 160575118) is tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

What is the SMILES notation for tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The canonical SMILES for tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(S(C)(=O)=O)cc1F)C2.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(S(C)(=O)=O)cc1F)C2.CS(=O)(=O)N1CCC(n2ncc3c(NC4C[C@@H]5C=C[C@@H](C4)N5C(=O)Nc4ccccc4)ncnc32)CC1.N#Cc1ccc(-n2ccc3c(OC4C[C@@H]5CC[C@@H](C4)N5S(=O)(=O)C4CC4)ncnc32)c(Cl)c1.

What is the InChIKey of tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The InChIKey is RBAUESFTQJWAKR-UFPGLENFSA-N. The full InChI is InChI=1S/C25H26ClN5O3.C25H29FN4O5S.C25H30N8O3S.C24H24ClN5O3.C24H27FN4O5S.C23H22ClN5O3S/c1-25(2,3)34-24(32)31-16-5-6-17(31)12-18(11-16)33-23-19-8-9-30(22(19)28-14-29-23)21-7-4-15(13-27)10-20(21)26;1-25(2,3)35-24(31)30-15-5-6-16(30)12-17(11-15)34-23-19-9-10-29(22(19)27-14-28-23)21-8-7-18(13-20(21)26)36(4,32)33;1-37(35,36)31-11-9-19(10-12-31)33-24-22(15-28-33)23(26-16-27-24)29-18-13-20-7-8-21(14-18)32(20)25(34)30-17-5-3-2-4-6-17;1-14(2)32-24(31)30-16-4-5-17(30)11-18(10-16)33-23-19-7-8-29(22(19)27-13-28-23)21-6-3-15(12-26)9-20(21)25;1-14(2)33-24(30)29-15-4-5-16(29)11-17(10-15)34-23-19-8-9-28(22(19)26-13-27-23)21-7-6-18(12-20(21)25)35(3,31)32;24-20-9-14(12-25)1-6-21(20)28-8-7-19-22(28)26-13-27-23(19)32-17-10-15-2-3-16(11-17)29(15)33(30,31)18-4-5-18/h4,7-10,14,16-18H,5-6,11-12H2,1-3H3;7-10,13-17H,5-6,11-12H2,1-4H3;2-8,15-16,18-21H,9-14H2,1H3,(H,30,34)(H,26,27,29);3,6-9,13-14,16-18H,4-5,10-11H2,1-2H3;6-9,12-17H,4-5,10-11H2,1-3H3;1,6-9,13,15-18H,2-5,10-11H2/t16-,17-;15-,16-;20-,21-;16-,17-;2*15-,16-/m000000/s1.

What are the key properties of tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 2971.69 g/mol, XLogP of 24.92, 26 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;(1R,5R)-3-[[1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-phenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxamide;propan-2-yl (1S,5S)-3-[7-(2-chloro-4-cyanophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 160575118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).