trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane

C24H21N5OSi — CID 140848214

IUPACtrimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn1-2
InChIInChI=1S/C24H21N5OSi/c1-31(2,3)11-9-17-7-8-20-18(12-17)23(19-6-4-5-10-26-19)27-13-21-24(28-15-29(20)21)22-14-25-16-30-22/h4-8,10,12,14-16H,13H2,1-3H3
InChIKeyZOSVUHWEALDINZ-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.50
Rot. Bonds2

About trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane

trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane (PubChem CID 140848214) has the molecular formula C24H21N5OSi and a molecular weight of 423.55 g/mol. Its IUPAC name is trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane
PubChem CID140848214
Molecular FormulaC24H21N5OSi
Molecular Weight423.55 g/mol
Exact Mass423.15
IUPAC Nametrimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn1-2
InChIInChI=1S/C24H21N5OSi/c1-31(2,3)11-9-17-7-8-20-18(12-17)23(19-6-4-5-10-26-19)27-13-21-24(28-15-29(20)21)22-14-25-16-30-22/h4-8,10,12,14-16H,13H2,1-3H3
InChIKeyZOSVUHWEALDINZ-UHFFFAOYSA-N
XLogP4.50
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane (CID 140848214) is trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn1-2.
What is the InChIKey of trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane?
The InChIKey is ZOSVUHWEALDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OSi/c1-31(2,3)11-9-17-7-8-20-18(12-17)23(19-6-4-5-10-26-19)27-13-21-24(28-15-29(20)21)22-14-25-16-30-22/h4-8,10,12,14-16H,13H2,1-3H3.
What are the key properties of trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane?
trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane has a molecular weight of 423.55 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(1,3-oxazol-5-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl]ethynyl]silane is sourced from PubChem (CID 140848214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).