2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C30H46BrN7O2Si2 — CID 68887572

IUPAC2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCN(c2ccc3c(c2)nc(-c2nn(COCC[Si](C)(C)C)c4ncc(Br)cc24)n3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C30H46BrN7O2Si2/c1-35-10-12-36(13-11-35)24-8-9-27-26(19-24)33-30(37(27)21-39-14-16-41(2,3)4)28-25-18-23(31)20-32-29(25)38(34-28)22-40-15-17-42(5,6)7/h8-9,18-20H,10-17,21-22H2,1-7H3
InChIKeyRVZCXGNTWICFSH-UHFFFAOYSA-N
MW672.82 g/mol
LogP6.59
Rot. Bonds12

About 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68887572) has the molecular formula C30H46BrN7O2Si2 and a molecular weight of 672.82 g/mol. Its IUPAC name is 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68887572
Molecular FormulaC30H46BrN7O2Si2
Molecular Weight672.82 g/mol
Exact Mass671.24
IUPAC Name2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCN(c2ccc3c(c2)nc(-c2nn(COCC[Si](C)(C)C)c4ncc(Br)cc24)n3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C30H46BrN7O2Si2/c1-35-10-12-36(13-11-35)24-8-9-27-26(19-24)33-30(37(27)21-39-14-16-41(2,3)4)28-25-18-23(31)20-32-29(25)38(34-28)22-40-15-17-42(5,6)7/h8-9,18-20H,10-17,21-22H2,1-7H3
InChIKeyRVZCXGNTWICFSH-UHFFFAOYSA-N
XLogP6.59
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.82
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 68887572) is 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CN1CCN(c2ccc3c(c2)nc(-c2nn(COCC[Si](C)(C)C)c4ncc(Br)cc24)n3COCC[Si](C)(C)C)CC1.
What is the InChIKey of 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RVZCXGNTWICFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46BrN7O2Si2/c1-35-10-12-36(13-11-35)24-8-9-27-26(19-24)33-30(37(27)21-39-14-16-41(2,3)4)28-25-18-23(31)20-32-29(25)38(34-28)22-40-15-17-42(5,6)7/h8-9,18-20H,10-17,21-22H2,1-7H3.
What are the key properties of 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 672.82 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68887572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).