CID 142458237

C23H36FN3O3Si- — CID 142458237

IUPAC—
SMILESCOc1ncc(-n2nc(O[Si-](C(C)C)(C(C)C)C(C)C)c3c2CCOCC3)cc1CF
InChIInChI=1S/C23H36FN3O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-20-8-10-29-11-9-21(20)27(26-23)19-12-18(13-24)22(28-7)25-14-19/h12,14-17H,8-11,13H2,1-7H3/q-1
InChIKeyDGNNZZFIUJRUAZ-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.41
Rot. Bonds8

About CID 142458237

CID 142458237 (PubChem CID 142458237) has the molecular formula C23H36FN3O3Si- and a molecular weight of 449.64 g/mol.

Molecular Properties

Compound NameCID 142458237
PubChem CID142458237
Molecular FormulaC23H36FN3O3Si-
Molecular Weight449.64 g/mol
Exact Mass449.25
IUPAC Name—
SMILESCOc1ncc(-n2nc(O[Si-](C(C)C)(C(C)C)C(C)C)c3c2CCOCC3)cc1CF
InChIInChI=1S/C23H36FN3O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-20-8-10-29-11-9-21(20)27(26-23)19-12-18(13-24)22(28-7)25-14-19/h12,14-17H,8-11,13H2,1-7H3/q-1
InChIKeyDGNNZZFIUJRUAZ-UHFFFAOYSA-N
XLogP5.41
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 CID 142458237?
The IUPAC name of CID 142458237 (CID 142458237) is not available.
What is the SMILES notation for CID 142458237?
The canonical SMILES for CID 142458237 is COc1ncc(-n2nc(O[Si-](C(C)C)(C(C)C)C(C)C)c3c2CCOCC3)cc1CF.
What is the InChIKey of CID 142458237?
The InChIKey is DGNNZZFIUJRUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-20-8-10-29-11-9-21(20)27(26-23)19-12-18(13-24)22(28-7)25-14-19/h12,14-17H,8-11,13H2,1-7H3/q-1.
What are the key properties of CID 142458237?
CID 142458237 has a molecular weight of 449.64 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142458237 is sourced from PubChem (CID 142458237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).