tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate

C42H59BrN6O8 — CID 175927197

About tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate

tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate (PubChem CID 175927197) has the molecular formula C42H59BrN6O8 and a molecular weight of 855.87 g/mol. Its IUPAC name is tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
• PubChem CID: 175927197
• Molecular Formula: C42H59BrN6O8
• Molecular Weight: 855.87 g/mol
• Exact Mass: 854.36
• IUPAC Name: tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
• SMILES: COC(=O)c1cc2cn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc2cc1OC.COc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1Br
• InChI: InChI=1S/C22H31N3O5.C20H28BrN3O3/c1-22(2,3)30-21(27)24(4)15-7-9-16(10-8-15)25-13-14-11-17(20(26)29-6)19(28-5)12-18(14)23-25;1-20(2,3)27-19(25)23(4)14-6-8-15(9-7-14)24-12-13-10-16(21)18(26-5)11-17(13)22-24/h11-13,15-16H,7-10H2,1-6H3;10-12,14-15H,6-9H2,1-5H3
• InChIKey: OOOAIJKLNDXACX-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 139.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.87
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate?

The IUPAC name of tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate (CID 175927197) is tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate.

What is the SMILES notation for tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate?

The canonical SMILES for tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate is COC(=O)c1cc2cn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc2cc1OC.COc1cc2nn(C3CCC(N(C)C(=O)OC(C)(C)C)CC3)cc2cc1Br.

What is the InChIKey of tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate?

The InChIKey is OOOAIJKLNDXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5.C20H28BrN3O3/c1-22(2,3)30-21(27)24(4)15-7-9-16(10-8-15)25-13-14-11-17(20(26)29-6)19(28-5)12-18(14)23-25;1-20(2,3)27-19(25)23(4)14-6-8-15(9-7-14)24-12-13-10-16(21)18(26-5)11-17(13)22-24/h11-13,15-16H,7-10H2,1-6H3;10-12,14-15H,6-9H2,1-5H3.

What are the key properties of tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate?

tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate has a molecular weight of 855.87 g/mol, XLogP of 9.34, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate is sourced from PubChem (CID 175927197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).