CID 88584126

C17H23BF3N3OS — CID 88584126

IUPAC—
SMILES[B]c1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C17H23BF3N3OS/c18-14-10-22-15(26-14)23-16(25)24(12-4-2-1-3-5-12)13-8-6-11(7-9-13)17(19,20)21/h10-13H,1-9H2,(H,22,23,25)
InChIKeyPULGPVYTLCLYAK-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.22
Rot. Bonds3

About CID 88584126

CID 88584126 (PubChem CID 88584126) has the molecular formula C17H23BF3N3OS and a molecular weight of 385.26 g/mol.

Molecular Properties

Compound NameCID 88584126
PubChem CID88584126
Molecular FormulaC17H23BF3N3OS
Molecular Weight385.26 g/mol
Exact Mass385.16
IUPAC Name—
SMILES[B]c1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C17H23BF3N3OS/c18-14-10-22-15(26-14)23-16(25)24(12-4-2-1-3-5-12)13-8-6-11(7-9-13)17(19,20)21/h10-13H,1-9H2,(H,22,23,25)
InChIKeyPULGPVYTLCLYAK-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 88584126 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 88584126?
The IUPAC name of CID 88584126 (CID 88584126) is not available.
What is the SMILES notation for CID 88584126?
The canonical SMILES for CID 88584126 is [B]c1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of CID 88584126?
The InChIKey is PULGPVYTLCLYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BF3N3OS/c18-14-10-22-15(26-14)23-16(25)24(12-4-2-1-3-5-12)13-8-6-11(7-9-13)17(19,20)21/h10-13H,1-9H2,(H,22,23,25).
What are the key properties of CID 88584126?
CID 88584126 has a molecular weight of 385.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88584126 is sourced from PubChem (CID 88584126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).