CID 166556218

C23H19F3N4O2Si — CID 166556218

IUPAC—
SMILESC[C@@H]1C[Si][C@](c2cccc(-c3nc4cc(C=O)cc(C(F)(F)F)c4o3)c2)(c2nncn2C)C1
InChIInChI=1S/C23H19F3N4O2Si/c1-13-9-22(33-11-13,21-29-27-12-30(21)2)16-5-3-4-15(8-16)20-28-18-7-14(10-31)6-17(19(18)32-20)23(24,25)26/h3-8,10,12-13H,9,11H2,1-2H3/t13-,22+/m0/s1
InChIKeyXRTHFPPFUNSADP-WHEQGISXSA-N
MW468.51 g/mol
LogP4.86
Rot. Bonds4

About CID 166556218

CID 166556218 (PubChem CID 166556218) has the molecular formula C23H19F3N4O2Si and a molecular weight of 468.51 g/mol.

Molecular Properties

Compound NameCID 166556218
PubChem CID166556218
Molecular FormulaC23H19F3N4O2Si
Molecular Weight468.51 g/mol
Exact Mass468.12
IUPAC Name—
SMILESC[C@@H]1C[Si][C@](c2cccc(-c3nc4cc(C=O)cc(C(F)(F)F)c4o3)c2)(c2nncn2C)C1
InChIInChI=1S/C23H19F3N4O2Si/c1-13-9-22(33-11-13,21-29-27-12-30(21)2)16-5-3-4-15(8-16)20-28-18-7-14(10-31)6-17(19(18)32-20)23(24,25)26/h3-8,10,12-13H,9,11H2,1-2H3/t13-,22+/m0/s1
InChIKeyXRTHFPPFUNSADP-WHEQGISXSA-N
XLogP4.86
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 166556218 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 166556218?
The IUPAC name of CID 166556218 (CID 166556218) is not available.
What is the SMILES notation for CID 166556218?
The canonical SMILES for CID 166556218 is C[C@@H]1C[Si][C@](c2cccc(-c3nc4cc(C=O)cc(C(F)(F)F)c4o3)c2)(c2nncn2C)C1.
What is the InChIKey of CID 166556218?
The InChIKey is XRTHFPPFUNSADP-WHEQGISXSA-N. The full InChI is InChI=1S/C23H19F3N4O2Si/c1-13-9-22(33-11-13,21-29-27-12-30(21)2)16-5-3-4-15(8-16)20-28-18-7-14(10-31)6-17(19(18)32-20)23(24,25)26/h3-8,10,12-13H,9,11H2,1-2H3/t13-,22+/m0/s1.
What are the key properties of CID 166556218?
CID 166556218 has a molecular weight of 468.51 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166556218 is sourced from PubChem (CID 166556218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).