5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde

C32H42N6O4Si2 — CID 87613588

IUPAC5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde
SMILESCOc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(-c5cncc(C=O)c5)cc34)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C32H42N6O4Si2/c1-40-26-8-9-28-29(16-26)37(21-41-10-12-43(2,3)4)32(35-28)30-27-15-25(24-14-23(20-39)17-33-18-24)19-34-31(27)38(36-30)22-42-11-13-44(5,6)7/h8-9,14-20H,10-13,21-22H2,1-7H3
InChIKeyLCMHWHICMDAHNL-UHFFFAOYSA-N
MW630.90 g/mol
LogP6.96
Rot. Bonds14

About 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde

5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde (PubChem CID 87613588) has the molecular formula C32H42N6O4Si2 and a molecular weight of 630.90 g/mol. Its IUPAC name is 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde
PubChem CID87613588
Molecular FormulaC32H42N6O4Si2
Molecular Weight630.90 g/mol
Exact Mass630.28
IUPAC Name5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde
SMILESCOc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(-c5cncc(C=O)c5)cc34)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C32H42N6O4Si2/c1-40-26-8-9-28-29(16-26)37(21-41-10-12-43(2,3)4)32(35-28)30-27-15-25(24-14-23(20-39)17-33-18-24)19-34-31(27)38(36-30)22-42-11-13-44(5,6)7/h8-9,14-20H,10-13,21-22H2,1-7H3
InChIKeyLCMHWHICMDAHNL-UHFFFAOYSA-N
XLogP6.96
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.90
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde (CID 87613588) is 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde is COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(-c5cncc(C=O)c5)cc34)n(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde?
The InChIKey is LCMHWHICMDAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4Si2/c1-40-26-8-9-28-29(16-26)37(21-41-10-12-43(2,3)4)32(35-28)30-27-15-25(24-14-23(20-39)17-33-18-24)19-34-31(27)38(36-30)22-42-11-13-44(5,6)7/h8-9,14-20H,10-13,21-22H2,1-7H3.
What are the key properties of 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde?
5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde has a molecular weight of 630.90 g/mol, XLogP of 6.96, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 87613588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).