tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

C145H217BrIN37O17S9 — CID 157439409

About tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane

tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 157439409) has the molecular formula C145H217BrIN37O17S9 and a molecular weight of 3245.98 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• PubChem CID: 157439409
• Molecular Formula: C145H217BrIN37O17S9
• Molecular Weight: 3245.98 g/mol
• Exact Mass: 3242.30
• IUPAC Name: tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
• SMILES: C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6ncccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3nc4c(nc3Br)c(N3CCCc5ncccc53)nn4C3CCCCO3)CC2)[C@@H]1NC(=O)OC(C)(C)C.Cc1nc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)CO[C@@H](C)[C@H]2NC(=O)OC(C)(C)C.Cc1nc2c(nc1N1CCC3(CC1)CO[C@@H](C)[C@H]3N)CN=C2N1CCCc2ncccc21.S.S.S.S.S.S.S.S.S
• InChI: InChI=1S/C33H46N8O4.C32H43BrN8O4.C32H44N8O4.C24H35IN6O4.C24H31N7O.9H2S/c1-21-28(39-17-13-33(14-18-39)20-44-22(2)27(33)36-31(42)45-32(3,4)5)37-29-26(35-21)30(38-41(29)25-12-6-7-19-43-25)40-16-9-10-23-24(40)11-8-15-34-23;1-20-25(36-30(42)45-31(2,3)4)32(19-44-20)12-16-39(17-13-32)29-26(33)35-24-27(37-29)41(23-11-5-6-18-43-23)38-28(24)40-15-8-9-21-22(40)10-7-14-34-21;1-21-27(36-30(41)44-31(2,3)4)32(20-43-21)12-16-38(17-13-32)24-19-34-26-28(35-24)40(25-11-5-6-18-42-25)37-29(26)39-15-8-9-22-23(39)10-7-14-33-22;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;1-15-22(30-11-7-24(8-12-30)14-32-16(2)21(24)25)29-18-13-27-23(20(18)28-15)31-10-4-5-17-19(31)6-3-9-26-17;;;;;;;;;/h8,11,15,22,25,27H,6-7,9-10,12-14,16-20H2,1-5H3,(H,36,42);7,10,14,20,23,25H,5-6,8-9,11-13,15-19H2,1-4H3,(H,36,42);7,10,14,19,21,25,27H,5-6,8-9,11-13,15-18,20H2,1-4H3,(H,36,41);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);3,6,9,16,21H,4-5,7-8,10-14,25H2,1-2H3;9*1H2/t22-,25?,27+;20-,23?,25+;21-,25?,27+;15-,17?,19+;16-,21+;;;;;;;;;/m00000........./s1
• InChIKey: BRMJGKJGCSYSSN-FQBFHFKOSA-N
• XLogP: 23.05
• TPSA: 555.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 50
• Rotatable Bonds: 16
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3245.98
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The IUPAC name of tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane (CID 157439409) is tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane.

What is the SMILES notation for tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The canonical SMILES for tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6ncccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3nc4c(nc3Br)c(N3CCCc5ncccc53)nn4C3CCCCO3)CC2)[C@@H]1NC(=O)OC(C)(C)C.Cc1nc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)CO[C@@H](C)[C@H]2NC(=O)OC(C)(C)C.Cc1nc2c(nc1N1CCC3(CC1)CO[C@@H](C)[C@H]3N)CN=C2N1CCCc2ncccc21.S.S.S.S.S.S.S.S.S.

What is the InChIKey of tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

The InChIKey is BRMJGKJGCSYSSN-FQBFHFKOSA-N. The full InChI is InChI=1S/C33H46N8O4.C32H43BrN8O4.C32H44N8O4.C24H35IN6O4.C24H31N7O.9H2S/c1-21-28(39-17-13-33(14-18-39)20-44-22(2)27(33)36-31(42)45-32(3,4)5)37-29-26(35-21)30(38-41(29)25-12-6-7-19-43-25)40-16-9-10-23-24(40)11-8-15-34-23;1-20-25(36-30(42)45-31(2,3)4)32(19-44-20)12-16-39(17-13-32)29-26(33)35-24-27(37-29)41(23-11-5-6-18-43-23)38-28(24)40-15-8-9-21-22(40)10-7-14-34-21;1-21-27(36-30(41)44-31(2,3)4)32(20-43-21)12-16-38(17-13-32)24-19-34-26-28(35-24)40(25-11-5-6-18-42-25)37-29(26)39-15-8-9-22-23(39)10-7-14-33-22;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;1-15-22(30-11-7-24(8-12-30)14-32-16(2)21(24)25)29-18-13-27-23(20(18)28-15)31-10-4-5-17-19(31)6-3-9-26-17;;;;;;;;;/h8,11,15,22,25,27H,6-7,9-10,12-14,16-20H2,1-5H3,(H,36,42);7,10,14,20,23,25H,5-6,8-9,11-13,15-19H2,1-4H3,(H,36,42);7,10,14,19,21,25,27H,5-6,8-9,11-13,15-18,20H2,1-4H3,(H,36,41);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);3,6,9,16,21H,4-5,7-8,10-14,25H2,1-2H3;9*1H2/t22-,25?,27+;20-,23?,25+;21-,25?,27+;15-,17?,19+;16-,21+;;;;;;;;;/m00000........./s1.

What are the key properties of tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane?

tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 3245.98 g/mol, XLogP of 23.05, 16 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,4S)-8-[5-bromo-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-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-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-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-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-methyl-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 157439409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).