N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide

C28H34Cl2N8O2Si — CID 174059521

About N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide

N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide (PubChem CID 174059521) has the molecular formula C28H34Cl2N8O2Si and a molecular weight of 613.63 g/mol. Its IUPAC name is N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
• PubChem CID: 174059521
• Molecular Formula: C28H34Cl2N8O2Si
• Molecular Weight: 613.63 g/mol
• Exact Mass: 612.20
• IUPAC Name: N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
• SMILES: CC(O[Si](C)(C)C(C)(C)C)c1cnn(-c2ncc(NC(=O)C3CC4(CCC4)c4c3cnc3cc(Cl)nn43)cc2Cl)n1
• InChI: InChI=1S/C28H34Cl2N8O2Si/c1-16(40-41(5,6)27(2,3)4)21-15-33-38(35-21)25-20(29)10-17(13-32-25)34-26(39)18-12-28(8-7-9-28)24-19(18)14-31-23-11-22(30)36-37(23)24/h10-11,13-16,18H,7-9,12H2,1-6H3,(H,34,39)
• InChIKey: ILZGERPLQIVXHJ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 112.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.63
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide?

The IUPAC name of N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide (CID 174059521) is N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide.

What is the SMILES notation for N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide?

The canonical SMILES for N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide is CC(O[Si](C)(C)C(C)(C)C)c1cnn(-c2ncc(NC(=O)C3CC4(CCC4)c4c3cnc3cc(Cl)nn43)cc2Cl)n1.

What is the InChIKey of N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide?

The InChIKey is ILZGERPLQIVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2N8O2Si/c1-16(40-41(5,6)27(2,3)4)21-15-33-38(35-21)25-20(29)10-17(13-32-25)34-26(39)18-12-28(8-7-9-28)24-19(18)14-31-23-11-22(30)36-37(23)24/h10-11,13-16,18H,7-9,12H2,1-6H3,(H,34,39).

What are the key properties of N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide?

N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide has a molecular weight of 613.63 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide is sourced from PubChem (CID 174059521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).