tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde

C158H221Cl8F7IN37O18Sn — CID 159280586

About tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde

tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde (PubChem CID 159280586) has the molecular formula C158H221Cl8F7IN37O18Sn and a molecular weight of 3589.98 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159280586
• Molecular Formula: C158H221Cl8F7IN37O18Sn
• Molecular Weight: 3589.98 g/mol
• Exact Mass: 3585.30
• IUPAC Name: tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde
• SMILES: C.CCCC[Sn](CCCC)(CCCC)c1ccnc(F)c1Cl.CCCc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)c(Cl)nc23)c1Cl.CCN.CCNc1nccc(-c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)c(Cl)nc23)c1Cl.C[C@@H]1OCC2(CCN(c3cnc4c(-c5ccnc(F)c5Cl)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3nc4c(nc3Cl)c(-c3ccnc(F)c3Cl)nn4C3CCCCO3)CC2)[C@@H]1NC(=O)OC(C)(C)C.O=CC(F)(F)F.[2H]CF
• InChI: InChI=1S/C31H42Cl2N8O4.C29H36Cl2FN7O4.C29H37ClFN7O4.C24H35IN6O4.C22H27Cl2N7O.C5H2ClFN.3C4H9.C2HF3O.C2H7N.CH3F.CH4.Sn/c1-6-34-26-21(32)19(10-13-35-26)22-23-27(41(39-22)20-9-7-8-16-43-20)38-28(25(33)36-23)40-14-11-31(12-15-40)17-44-18(2)24(31)37-29(42)45-30(3,4)5;1-16-22(35-27(40)43-28(2,3)4)29(15-42-16)9-12-38(13-10-29)26-23(31)34-21-20(17-8-11-33-24(32)19(17)30)37-39(25(21)36-26)18-7-5-6-14-41-18;1-17-24(35-27(39)42-28(2,3)4)29(16-41-17)9-12-37(13-10-29)19-15-33-23-22(18-8-11-32-25(31)21(18)30)36-38(26(23)34-19)20-7-5-6-14-40-20;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-3-4-14-15(23)13(5-8-26-14)16-17-20(30-29-16)28-21(19(24)27-17)31-9-6-22(7-10-31)11-32-12(2)18(22)25;6-4-2-1-3-8-5(4)7;3*1-3-4-2;3-2(4,5)1-6;1-2-3;1-2;;/h10,13,18,20,24H,6-9,11-12,14-17H2,1-5H3,(H,34,35)(H,37,42);8,11,16,18,22H,5-7,9-10,12-15H2,1-4H3,(H,35,40);8,11,15,17,20,24H,5-7,9-10,12-14,16H2,1-4H3,(H,35,39);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);5,8,12,18H,3-4,6-7,9-11,25H2,1-2H3,(H,28,29,30);1,3H;3*1,3-4H2,2H3;1H;2-3H2,1H3;1H3;1H4;/t18-,20?,24+;16-,18?,22+;17-,20?,24+;15-,17?,19+;12-,18+;;;;;;;;;/m00000........./s1/i;;;;;;;;;;;1D
• InChIKey: KYWCFGJFGFILBO-QPXJWEIYSA-N
• XLogP: 33.33
• TPSA: 627.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 31
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3589.98
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde (CID 159280586) is tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde is C.CCCC[Sn](CCCC)(CCCC)c1ccnc(F)c1Cl.CCCc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)c(Cl)nc23)c1Cl.CCN.CCNc1nccc(-c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)c(Cl)nc23)c1Cl.C[C@@H]1OCC2(CCN(c3cnc4c(-c5ccnc(F)c5Cl)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3nc4c(nc3Cl)c(-c3ccnc(F)c3Cl)nn4C3CCCCO3)CC2)[C@@H]1NC(=O)OC(C)(C)C.O=CC(F)(F)F.[2H]CF.

What is the InChIKey of tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde?

The InChIKey is KYWCFGJFGFILBO-QPXJWEIYSA-N. The full InChI is InChI=1S/C31H42Cl2N8O4.C29H36Cl2FN7O4.C29H37ClFN7O4.C24H35IN6O4.C22H27Cl2N7O.C5H2ClFN.3C4H9.C2HF3O.C2H7N.CH3F.CH4.Sn/c1-6-34-26-21(32)19(10-13-35-26)22-23-27(41(39-22)20-9-7-8-16-43-20)38-28(25(33)36-23)40-14-11-31(12-15-40)17-44-18(2)24(31)37-29(42)45-30(3,4)5;1-16-22(35-27(40)43-28(2,3)4)29(15-42-16)9-12-38(13-10-29)26-23(31)34-21-20(17-8-11-33-24(32)19(17)30)37-39(25(21)36-26)18-7-5-6-14-41-18;1-17-24(35-27(39)42-28(2,3)4)29(16-41-17)9-12-37(13-10-29)19-15-33-23-22(18-8-11-32-25(31)21(18)30)36-38(26(23)34-19)20-7-5-6-14-40-20;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-3-4-14-15(23)13(5-8-26-14)16-17-20(30-29-16)28-21(19(24)27-17)31-9-6-22(7-10-31)11-32-12(2)18(22)25;6-4-2-1-3-8-5(4)7;3*1-3-4-2;3-2(4,5)1-6;1-2-3;1-2;;/h10,13,18,20,24H,6-9,11-12,14-17H2,1-5H3,(H,34,35)(H,37,42);8,11,16,18,22H,5-7,9-10,12-15H2,1-4H3,(H,35,40);8,11,15,17,20,24H,5-7,9-10,12-14,16H2,1-4H3,(H,35,39);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);5,8,12,18H,3-4,6-7,9-11,25H2,1-2H3,(H,28,29,30);1,3H;3*1,3-4H2,2H3;1H;2-3H2,1H3;1H3;1H4;/t18-,20?,24+;16-,18?,22+;17-,20?,24+;15-,17?,19+;12-,18+;;;;;;;;;/m00000........./s1/i;;;;;;;;;;;1D;;.

What are the key properties of tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde?

tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde has a molecular weight of 3589.98 g/mol, XLogP of 33.33, 31 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159280586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).