2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C28H44BrN5O3Si2 — CID 164532268

About 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164532268) has the molecular formula C28H44BrN5O3Si2 and a molecular weight of 634.77 g/mol. Its IUPAC name is 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 164532268
• Molecular Formula: C28H44BrN5O3Si2
• Molecular Weight: 634.77 g/mol
• Exact Mass: 633.22
• IUPAC Name: 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1nc2c(cc1Br)nc(-c1nn(COCC[Si](C)(C)C)c3c1C[C@@H]1C[C@]1(C)C3)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C28H44BrN5O3Si2/c1-28-15-19(28)13-20-23(16-28)34(18-37-10-12-39(6,7)8)32-24(20)26-30-22-14-21(29)27(35-2)31-25(22)33(26)17-36-9-11-38(3,4)5/h14,19H,9-13,15-18H2,1-8H3/t19-,28-/m1/s1
• InChIKey: NHHBXXANHQCEGO-WHLCRQNOSA-N
• XLogP: 6.82
• TPSA: 76.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.77
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 164532268) is 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is COc1nc2c(cc1Br)nc(-c1nn(COCC[Si](C)(C)C)c3c1C[C@@H]1C[C@]1(C)C3)n2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NHHBXXANHQCEGO-WHLCRQNOSA-N. The full InChI is InChI=1S/C28H44BrN5O3Si2/c1-28-15-19(28)13-20-23(16-28)34(18-37-10-12-39(6,7)8)32-24(20)26-30-22-14-21(29)27(35-2)31-25(22)33(26)17-36-9-11-38(3,4)5/h14,19H,9-13,15-18H2,1-8H3/t19-,28-/m1/s1.

What are the key properties of 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 634.77 g/mol, XLogP of 6.82, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164532268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).