tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C70H84BBrCl6N18O9 — CID 158537416

About tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 158537416) has the molecular formula C70H84BBrCl6N18O9 and a molecular weight of 1624.99 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 158537416
• Molecular Formula: C70H84BBrCl6N18O9
• Molecular Weight: 1624.99 g/mol
• Exact Mass: 1620.41
• IUPAC Name: tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3ncc(Br)n4ncnc34)CC2)[C@@H]1NC(=O)OC(C)(C)C.OB(O)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H30Cl2N6O3.C20H22Cl2N6O.C19H27BrN6O3.C6H5BCl2O2/c1-15-20(31-23(34)36-24(2,3)4)25(13-35-15)8-10-32(11-9-25)21-22-29-14-30-33(22)18(12-28-21)16-6-5-7-17(26)19(16)27;1-12-17(23)20(10-29-12)5-7-27(8-6-20)18-19-25-11-26-28(19)15(9-24-18)13-3-2-4-14(21)16(13)22;1-12-14(24-17(27)29-18(2,3)4)19(10-28-12)5-7-25(8-6-19)15-16-22-11-23-26(16)13(20)9-21-15;8-5-3-1-2-4(6(5)9)7(10)11/h5-7,12,14-15,20H,8-11,13H2,1-4H3,(H,31,34);2-4,9,11-12,17H,5-8,10,23H2,1H3;9,11-12,14H,5-8,10H2,1-4H3,(H,24,27);1-3,10-11H/t15-,20+;12-,17+;12-,14+;/m000./s1
• InChIKey: HOCMFPAWPCAVGG-KBBMMVISSA-N
• XLogP: 11.89
• TPSA: 309.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.99
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 158537416) is tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3ncc(Br)n4ncnc34)CC2)[C@@H]1NC(=O)OC(C)(C)C.OB(O)c1cccc(Cl)c1Cl.

What is the InChIKey of tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is HOCMFPAWPCAVGG-KBBMMVISSA-N. The full InChI is InChI=1S/C25H30Cl2N6O3.C20H22Cl2N6O.C19H27BrN6O3.C6H5BCl2O2/c1-15-20(31-23(34)36-24(2,3)4)25(13-35-15)8-10-32(11-9-25)21-22-29-14-30-33(22)18(12-28-21)16-6-5-7-17(26)19(16)27;1-12-17(23)20(10-29-12)5-7-27(8-6-20)18-19-25-11-26-28(19)15(9-24-18)13-3-2-4-14(21)16(13)22;1-12-14(24-17(27)29-18(2,3)4)19(10-28-12)5-7-25(8-6-19)15-16-22-11-23-26(16)13(20)9-21-15;8-5-3-1-2-4(6(5)9)7(10)11/h5-7,12,14-15,20H,8-11,13H2,1-4H3,(H,31,34);2-4,9,11-12,17H,5-8,10,23H2,1H3;9,11-12,14H,5-8,10H2,1-4H3,(H,24,27);1-3,10-11H/t15-,20+;12-,17+;12-,14+;/m000./s1.

What are the key properties of tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1624.99 g/mol, XLogP of 11.89, 8 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,4S)-8-(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(2,3-dichlorophenyl)boronic acid;(3S,4S)-8-[5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158537416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).