CID 166147655

C21H19F2N6O2Si — CID 166147655

IUPAC—
SMILESCn1nc(N[C@@](C)([Si])c2cccc3ccnn23)c2cn(C3(C(F)F)CC3)c(=O)cc2c1=O
InChIInChI=1S/C21H19F2N6O2Si/c1-20(32,15-5-3-4-12-6-9-24-29(12)15)25-17-14-11-28(21(7-8-21)19(22)23)16(30)10-13(14)18(31)27(2)26-17/h3-6,9-11,19H,7-8H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyRVPHNKPIXYUFBR-FQEVSTJZSA-N
MW453.51 g/mol
LogP1.95
Rot. Bonds5

About CID 166147655

CID 166147655 (PubChem CID 166147655) has the molecular formula C21H19F2N6O2Si and a molecular weight of 453.51 g/mol.

Molecular Properties

Compound NameCID 166147655
PubChem CID166147655
Molecular FormulaC21H19F2N6O2Si
Molecular Weight453.51 g/mol
Exact Mass453.13
IUPAC Name—
SMILESCn1nc(N[C@@](C)([Si])c2cccc3ccnn23)c2cn(C3(C(F)F)CC3)c(=O)cc2c1=O
InChIInChI=1S/C21H19F2N6O2Si/c1-20(32,15-5-3-4-12-6-9-24-29(12)15)25-17-14-11-28(21(7-8-21)19(22)23)16(30)10-13(14)18(31)27(2)26-17/h3-6,9-11,19H,7-8H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyRVPHNKPIXYUFBR-FQEVSTJZSA-N
XLogP1.95
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 166147655?
The IUPAC name of CID 166147655 (CID 166147655) is not available.
What is the SMILES notation for CID 166147655?
The canonical SMILES for CID 166147655 is Cn1nc(N[C@@](C)([Si])c2cccc3ccnn23)c2cn(C3(C(F)F)CC3)c(=O)cc2c1=O.
What is the InChIKey of CID 166147655?
The InChIKey is RVPHNKPIXYUFBR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19F2N6O2Si/c1-20(32,15-5-3-4-12-6-9-24-29(12)15)25-17-14-11-28(21(7-8-21)19(22)23)16(30)10-13(14)18(31)27(2)26-17/h3-6,9-11,19H,7-8H2,1-2H3,(H,25,26)/t20-/m0/s1.
What are the key properties of CID 166147655?
CID 166147655 has a molecular weight of 453.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166147655 is sourced from PubChem (CID 166147655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).