triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane

C25H28BN3Si — CID 137303031

IUPACtriethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane
SMILESCC[Si](CC)(CC)c1cc2ccccc2cc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C25H28BN3Si/c1-4-30(5-2,6-3)25-18-20-12-8-7-11-19(20)17-22(25)26-28-23-14-10-9-13-21(23)24-15-16-27-29(24)26/h7-18,28H,4-6H2,1-3H3
InChIKeyIUWBVVVMMRXBCS-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.09
Rot. Bonds5

About triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane

triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane (PubChem CID 137303031) has the molecular formula C25H28BN3Si and a molecular weight of 409.42 g/mol. Its IUPAC name is triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane.

Molecular Properties

Compound Nametriethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane
PubChem CID137303031
Molecular FormulaC25H28BN3Si
Molecular Weight409.42 g/mol
Exact Mass409.21
IUPAC Nametriethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane
SMILESCC[Si](CC)(CC)c1cc2ccccc2cc1B1Nc2ccccc2-c2ccnn21
InChIInChI=1S/C25H28BN3Si/c1-4-30(5-2,6-3)25-18-20-12-8-7-11-19(20)17-22(25)26-28-23-14-10-9-13-21(23)24-15-16-27-29(24)26/h7-18,28H,4-6H2,1-3H3
InChIKeyIUWBVVVMMRXBCS-UHFFFAOYSA-N
XLogP5.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane?
The IUPAC name of triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane (CID 137303031) is triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane.
What is the SMILES notation for triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane?
The canonical SMILES for triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane is CC[Si](CC)(CC)c1cc2ccccc2cc1B1Nc2ccccc2-c2ccnn21.
What is the InChIKey of triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane?
The InChIKey is IUWBVVVMMRXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BN3Si/c1-4-30(5-2,6-3)25-18-20-12-8-7-11-19(20)17-22(25)26-28-23-14-10-9-13-21(23)24-15-16-27-29(24)26/h7-18,28H,4-6H2,1-3H3.
What are the key properties of triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane?
triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane has a molecular weight of 409.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-(6H-pyrazolo[1,5-c][1,3,2]benzodiazaborinin-5-yl)naphthalen-2-yl]silane is sourced from PubChem (CID 137303031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).