6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C22H21N5OSi — CID 153499513

IUPAC6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(N)=O)ncn1-2
InChIInChI=1S/C22H21N5OSi/c1-29(2,3)11-9-15-7-8-18-16(12-15)20(17-6-4-5-10-24-17)25-13-19-21(22(23)28)26-14-27(18)19/h4-8,10,12,14H,13H2,1-3H3,(H2,23,28)
InChIKeyVZXGDCQTGRANFA-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.95
Rot. Bonds2

About 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 153499513) has the molecular formula C22H21N5OSi and a molecular weight of 399.53 g/mol. Its IUPAC name is 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID153499513
Molecular FormulaC22H21N5OSi
Molecular Weight399.53 g/mol
Exact Mass399.15
IUPAC Name6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(N)=O)ncn1-2
InChIInChI=1S/C22H21N5OSi/c1-29(2,3)11-9-15-7-8-18-16(12-15)20(17-6-4-5-10-24-17)25-13-19-21(22(23)28)26-14-27(18)19/h4-8,10,12,14H,13H2,1-3H3,(H2,23,28)
InChIKeyVZXGDCQTGRANFA-UHFFFAOYSA-N
XLogP2.95
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 153499513) is 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is C[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(N)=O)ncn1-2.
What is the InChIKey of 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is VZXGDCQTGRANFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OSi/c1-29(2,3)11-9-15-7-8-18-16(12-15)20(17-6-4-5-10-24-17)25-13-19-21(22(23)28)26-14-27(18)19/h4-8,10,12,14H,13H2,1-3H3,(H2,23,28).
What are the key properties of 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 399.53 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 153499513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).