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

C27H42BrN5O2Si2 — CID 164532313

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

2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164532313) has the molecular formula C27H42BrN5O2Si2 and a molecular weight of 604.74 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-bromoimidazo[4,5-b]pyridin-1-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-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 164532313
• Molecular Formula: C27H42BrN5O2Si2
• Molecular Weight: 604.74 g/mol
• Exact Mass: 603.21
• IUPAC Name: 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[C@@]12Cc3c(c(-c4nc5ncc(Br)cc5n4COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)C[C@@H]1C2
• InChI: InChI=1S/C27H42BrN5O2Si2/c1-27-14-19(27)12-21-23(15-27)33(18-35-9-11-37(5,6)7)31-24(21)26-30-25-22(13-20(28)16-29-25)32(26)17-34-8-10-36(2,3)4/h13,16,19H,8-12,14-15,17-18H2,1-7H3/t19-,27-/m1/s1
• InChIKey: IXDOMYCTHSVRAP-XHCCPWGMSA-N
• XLogP: 6.81
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.74
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-bromoimidazo[4,5-b]pyridin-1-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-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 164532313) is 2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromoimidazo[4,5-b]pyridin-1-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-bromoimidazo[4,5-b]pyridin-1-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-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[C@@]12Cc3c(c(-c4nc5ncc(Br)cc5n4COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)C[C@@H]1C2.

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

The InChIKey is IXDOMYCTHSVRAP-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H42BrN5O2Si2/c1-27-14-19(27)12-21-23(15-27)33(18-35-9-11-37(5,6)7)31-24(21)26-30-25-22(13-20(28)16-29-25)32(26)17-34-8-10-36(2,3)4/h13,16,19H,8-12,14-15,17-18H2,1-7H3/t19-,27-/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-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 604.74 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164532313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).