CID 140798455

C19H21BrFN3OSi — CID 140798455

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H21BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,1-5H3
InChIKeyUCWHUGYRQPHXTL-UHFFFAOYSA-N
MW434.39 g/mol
LogP5.41
Rot. Bonds4

About CID 140798455

CID 140798455 (PubChem CID 140798455) has the molecular formula C19H21BrFN3OSi and a molecular weight of 434.39 g/mol.

Molecular Properties

Compound NameCID 140798455
PubChem CID140798455
Molecular FormulaC19H21BrFN3OSi
Molecular Weight434.39 g/mol
Exact Mass433.06
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1
InChIInChI=1S/C19H21BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,1-5H3
InChIKeyUCWHUGYRQPHXTL-UHFFFAOYSA-N
XLogP5.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 140798455 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 140798455?
The IUPAC name of CID 140798455 (CID 140798455) is not available.
What is the SMILES notation for CID 140798455?
The canonical SMILES for CID 140798455 is CC(C)(C)[Si]OC(C)(C)c1cccc(-n2ncc3c(F)cc(Br)cc32)n1.
What is the InChIKey of CID 140798455?
The InChIKey is UCWHUGYRQPHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3OSi/c1-18(2,3)26-25-19(4,5)16-7-6-8-17(23-16)24-15-10-12(20)9-14(21)13(15)11-22-24/h6-11H,1-5H3.
What are the key properties of CID 140798455?
CID 140798455 has a molecular weight of 434.39 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140798455 is sourced from PubChem (CID 140798455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).