tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid

C153H212BrN33O29 — CID 158718951

About tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid

tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 158718951) has the molecular formula C153H212BrN33O29 and a molecular weight of 3057.48 g/mol. Its IUPAC name is tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid
• PubChem CID: 158718951
• Molecular Formula: C153H212BrN33O29
• Molecular Weight: 3057.48 g/mol
• Exact Mass: 3054.53
• IUPAC Name: tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid
• SMILES: CNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(=O)OC(C)(C)C)c6cc(Br)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(=O)OC(C)(C)C)c6cc(C(=O)O)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C39H55N9O7.C39H54N8O8.C38H52N8O8.C37H51BrN8O6/c1-24-31(43-35(50)54-37(2,3)4)39(23-53-24)14-16-45(17-15-39)28-22-41-30-32(42-28)48(29-11-9-10-20-52-29)44-33(30)46-18-19-47(36(51)55-38(5,6)7)27-21-25(34(49)40-8)12-13-26(27)46;1-24-31(42-35(49)54-37(2,3)4)39(23-53-24)14-16-44(17-15-39)28-22-40-30-32(41-28)47(29-11-9-10-20-52-29)43-33(30)45-18-19-46(36(50)55-38(5,6)7)27-21-25(34(48)51-8)12-13-26(27)45;1-23-30(41-34(49)53-36(2,3)4)38(22-52-23)13-15-43(16-14-38)27-21-39-29-31(40-27)46(28-10-8-9-19-51-28)42-32(29)44-17-18-45(35(50)54-37(5,6)7)26-20-24(33(47)48)11-12-25(26)44;1-23-30(41-33(47)51-35(2,3)4)37(22-50-23)13-15-43(16-14-37)27-21-39-29-31(40-27)46(28-10-8-9-19-49-28)42-32(29)44-17-18-45(34(48)52-36(5,6)7)26-20-24(38)11-12-25(26)44/h12-13,21-22,24,29,31H,9-11,14-20,23H2,1-8H3,(H,40,49)(H,43,50);12-13,21-22,24,29,31H,9-11,14-20,23H2,1-8H3,(H,42,49);11-12,20-21,23,28,30H,8-10,13-19,22H2,1-7H3,(H,41,49)(H,47,48);11-12,20-21,23,28,30H,8-10,13-19,22H2,1-7H3,(H,41,47)/t2*24-,29?,31+;2*23-,28?,30+/m0000/s1
• InChIKey: IJQZOYIINGQXNZ-UJVGTFLOSA-N
• XLogP: 24.88
• TPSA: 638.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 19
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3057.48
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid?

The IUPAC name of tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid (CID 158718951) is tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid.

What is the SMILES notation for tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid?

The canonical SMILES for tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid is CNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2c1nn(C2CCCCO2)c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4NC(=O)OC(C)(C)C)cnc12.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(=O)OC(C)(C)C)c6cc(Br)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(=O)OC(C)(C)C)c6cc(C(=O)O)ccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid?

The InChIKey is IJQZOYIINGQXNZ-UJVGTFLOSA-N. The full InChI is InChI=1S/C39H55N9O7.C39H54N8O8.C38H52N8O8.C37H51BrN8O6/c1-24-31(43-35(50)54-37(2,3)4)39(23-53-24)14-16-45(17-15-39)28-22-41-30-32(42-28)48(29-11-9-10-20-52-29)44-33(30)46-18-19-47(36(51)55-38(5,6)7)27-21-25(34(49)40-8)12-13-26(27)46;1-24-31(42-35(49)54-37(2,3)4)39(23-53-24)14-16-44(17-15-39)28-22-40-30-32(41-28)47(29-11-9-10-20-52-29)43-33(30)45-18-19-46(36(50)55-38(5,6)7)27-21-25(34(48)51-8)12-13-26(27)45;1-23-30(41-34(49)53-36(2,3)4)38(22-52-23)13-15-43(16-14-38)27-21-39-29-31(40-27)46(28-10-8-9-19-51-28)42-32(29)44-17-18-45(35(50)54-37(5,6)7)26-20-24(33(47)48)11-12-25(26)44;1-23-30(41-33(47)51-35(2,3)4)37(22-50-23)13-15-43(16-14-37)27-21-39-29-31(40-27)46(28-10-8-9-19-49-28)42-32(29)44-17-18-45(34(48)52-36(5,6)7)26-20-24(38)11-12-25(26)44/h12-13,21-22,24,29,31H,9-11,14-20,23H2,1-8H3,(H,40,49)(H,43,50);12-13,21-22,24,29,31H,9-11,14-20,23H2,1-8H3,(H,42,49);11-12,20-21,23,28,30H,8-10,13-19,22H2,1-7H3,(H,41,49)(H,47,48);11-12,20-21,23,28,30H,8-10,13-19,22H2,1-7H3,(H,41,47)/t2*24-,29?,31+;2*23-,28?,30+/m0000/s1.

What are the key properties of tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid?

tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 3057.48 g/mol, XLogP of 24.88, 19 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-bromo-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;tert-butyl 7-(methylcarbamoyl)-4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate;1-O-tert-butyl 7-O-methyl 4-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxaline-1,7-dicarboxylate;1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 158718951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).