tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide

C170H183Cl5F6N34O26S2 — CID 159521138

About tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide

tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide (PubChem CID 159521138) has the molecular formula C170H183Cl5F6N34O26S2 and a molecular weight of 3473.93 g/mol. Its IUPAC name is tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide.

Molecular Properties

• Compound Name: tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide
• PubChem CID: 159521138
• Molecular Formula: C170H183Cl5F6N34O26S2
• Molecular Weight: 3473.93 g/mol
• Exact Mass: 3469.18
• IUPAC Name: tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide
• SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C#N)cc1Cl)C2.CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C(N)=O)cc1Cl)C2.CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc2c1ccn2-c1ccc(S(C)(=O)=O)cc1F.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C#N)cc1Cl)C2.CC(F)(F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2)C(C)(F)F.O=S=O.[H]/N=C/c1c(Nc2ccc(C)cc2F)ncnc1OC1CC2CCC(C1)N2C(=O)OC1(C)CC1
• InChI: InChI=1S/C25H24ClF2N5O3.C25H30ClN5O4.C25H28ClN5O3.C24H26ClN5O3.C24H28FN5O3.C24H27FN4O6S.C23H20ClF2N5O2.O2S/c1-14(25(2,27)28)35-24(34)33-16-4-5-17(33)11-18(10-16)36-23-19-7-8-32(22(19)30-13-31-23)21-6-3-15(12-29)9-20(21)26;1-25(2,3)35-24(33)31-15-5-6-16(31)12-17(11-15)34-23-18-8-9-30(22(18)28-13-29-23)20-7-4-14(21(27)32)10-19(20)26;1-25(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;1-14(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;1-14-3-6-20(19(25)9-14)29-21-18(12-26)22(28-13-27-21)32-17-10-15-4-5-16(11-17)30(15)23(31)33-24(2)7-8-24;1-14(2)34-24(30)28-9-15-11-33-12-16(10-28)21(15)35-23-18-6-7-29(22(18)26-13-27-23)20-5-4-17(8-19(20)25)36(3,31)32;1-23(25,26)22(32)31-14-3-4-15(31)10-16(9-14)33-21-17-6-7-30(20(17)28-12-29-21)19-5-2-13(11-27)8-18(19)24;1-3-2/h3,6-9,13-14,16-18H,4-5,10-11H2,1-2H3;4,7,10,13,15-17H,5-6,8-9,11-12H2,1-3H3,(H2,27,32);4,7,10,14,16-18H,5-6,8-9,11-12H2,1-3H3;3,6,9,13-14,16-18H,4-5,7-8,10-11H2,1-2H3;3,6,9,12-13,15-17,26H,4-5,7-8,10-11H2,1-2H3,(H,27,28,29);4-8,13-16,21H,9-12H2,1-3H3;2,5-8,12,14-16H,3-4,9-10H2,1H3;/b;;;;26-12+;;;/t14?,16-,17-;15-,16-;2*16-,17-;;;14-,15-;/m0000..0./s1
• InChIKey: MBUSLQOZGKZFBU-RZDDTQGESA-N
• XLogP: 30.75
• TPSA: 718.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 52
• Rotatable Bonds: 31
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3473.93
LogP ≤ 5	30.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide?

The IUPAC name of tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide (CID 159521138) is tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide.

What is the SMILES notation for tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide?

The canonical SMILES for tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide is CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C#N)cc1Cl)C2.CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C(N)=O)cc1Cl)C2.CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc2c1ccn2-c1ccc(S(C)(=O)=O)cc1F.CC(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1CCN3c1ccc(C#N)cc1Cl)C2.CC(F)(F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2.CC(OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc3c1ccn3-c1ccc(C#N)cc1Cl)C2)C(C)(F)F.O=S=O.[H]/N=C/c1c(Nc2ccc(C)cc2F)ncnc1OC1CC2CCC(C1)N2C(=O)OC1(C)CC1.

What is the InChIKey of tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide?

The InChIKey is MBUSLQOZGKZFBU-RZDDTQGESA-N. The full InChI is InChI=1S/C25H24ClF2N5O3.C25H30ClN5O4.C25H28ClN5O3.C24H26ClN5O3.C24H28FN5O3.C24H27FN4O6S.C23H20ClF2N5O2.O2S/c1-14(25(2,27)28)35-24(34)33-16-4-5-17(33)11-18(10-16)36-23-19-7-8-32(22(19)30-13-31-23)21-6-3-15(12-29)9-20(21)26;1-25(2,3)35-24(33)31-15-5-6-16(31)12-17(11-15)34-23-18-8-9-30(22(18)28-13-29-23)20-7-4-14(21(27)32)10-19(20)26;1-25(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;1-14(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;1-14-3-6-20(19(25)9-14)29-21-18(12-26)22(28-13-27-21)32-17-10-15-4-5-16(11-17)30(15)23(31)33-24(2)7-8-24;1-14(2)34-24(30)28-9-15-11-33-12-16(10-28)21(15)35-23-18-6-7-29(22(18)26-13-27-23)20-5-4-17(8-19(20)25)36(3,31)32;1-23(25,26)22(32)31-14-3-4-15(31)10-16(9-14)33-21-17-6-7-30(20(17)28-12-29-21)19-5-2-13(11-27)8-18(19)24;1-3-2/h3,6-9,13-14,16-18H,4-5,10-11H2,1-2H3;4,7,10,13,15-17H,5-6,8-9,11-12H2,1-3H3,(H2,27,32);4,7,10,14,16-18H,5-6,8-9,11-12H2,1-3H3;3,6,9,13-14,16-18H,4-5,7-8,10-11H2,1-2H3;3,6,9,12-13,15-17,26H,4-5,7-8,10-11H2,1-2H3,(H,27,28,29);4-8,13-16,21H,9-12H2,1-3H3;2,5-8,12,14-16H,3-4,9-10H2,1H3;/b;;;;26-12+;;;/t14?,16-,17-;15-,16-;2*16-,17-;;;14-,15-;/m0000..0./s1.

What are the key properties of tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide?

tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide has a molecular weight of 3473.93 g/mol, XLogP of 30.75, 31 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1S,5S)-3-[[7-(4-carbamoyl-2-chlorophenyl)-5,6-dihydropyrrolo[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)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;3-chloro-4-[4-[[(1S,5S)-8-(2,2-difluoropropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile;3,3-difluorobutan-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;(1-methylcyclopropyl) 3-[6-(2-fluoro-4-methylanilino)-5-methanimidoylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[[7-(2-chloro-4-cyanophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl 9-[7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate;sulfur dioxide is sourced from PubChem (CID 159521138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).