CID 175616432

C23H18B2N4O — CID 175616432

IUPAC—
SMILES[B]C1([B])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3nn(C)cc23)cc1C
InChIInChI=1S/C23H18B2N4O/c1-14-11-15(17-5-3-7-20-19(17)13-28(2)27-20)8-9-16(14)12-29-22(30)18-6-4-10-26-21(18)23(29,24)25/h3-11,13H,12H2,1-2H3
InChIKeyLXIQSEATBKQPTJ-UHFFFAOYSA-N
MW388.05 g/mol
LogP3.05
Rot. Bonds3

About CID 175616432

CID 175616432 (PubChem CID 175616432) has the molecular formula C23H18B2N4O and a molecular weight of 388.05 g/mol.

Molecular Properties

Compound NameCID 175616432
PubChem CID175616432
Molecular FormulaC23H18B2N4O
Molecular Weight388.05 g/mol
Exact Mass388.17
IUPAC Name—
SMILES[B]C1([B])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3nn(C)cc23)cc1C
InChIInChI=1S/C23H18B2N4O/c1-14-11-15(17-5-3-7-20-19(17)13-28(2)27-20)8-9-16(14)12-29-22(30)18-6-4-10-26-21(18)23(29,24)25/h3-11,13H,12H2,1-2H3
InChIKeyLXIQSEATBKQPTJ-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 175616432 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 175616432?
The IUPAC name of CID 175616432 (CID 175616432) is not available.
What is the SMILES notation for CID 175616432?
The canonical SMILES for CID 175616432 is [B]C1([B])c2ncccc2C(=O)N1Cc1ccc(-c2cccc3nn(C)cc23)cc1C.
What is the InChIKey of CID 175616432?
The InChIKey is LXIQSEATBKQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18B2N4O/c1-14-11-15(17-5-3-7-20-19(17)13-28(2)27-20)8-9-16(14)12-29-22(30)18-6-4-10-26-21(18)23(29,24)25/h3-11,13H,12H2,1-2H3.
What are the key properties of CID 175616432?
CID 175616432 has a molecular weight of 388.05 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175616432 is sourced from PubChem (CID 175616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).