CID 66928977

C22H27ClN4O4Si — CID 66928977

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1nc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)co1
InChIInChI=1S/C22H27ClN4O4Si/c1-21(2,3)32-31-22(4,5)19-25-17(14-29-19)12-27-11-16(10-24-27)26-20(28)30-13-15-8-6-7-9-18(15)23/h6-11,14H,12-13H2,1-5H3,(H,26,28)
InChIKeyFXOMSVIIPYHHGU-UHFFFAOYSA-N
MW475.02 g/mol
LogP5.41
Rot. Bonds8

About CID 66928977

CID 66928977 (PubChem CID 66928977) has the molecular formula C22H27ClN4O4Si and a molecular weight of 475.02 g/mol.

Molecular Properties

Compound NameCID 66928977
PubChem CID66928977
Molecular FormulaC22H27ClN4O4Si
Molecular Weight475.02 g/mol
Exact Mass474.15
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1nc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)co1
InChIInChI=1S/C22H27ClN4O4Si/c1-21(2,3)32-31-22(4,5)19-25-17(14-29-19)12-27-11-16(10-24-27)26-20(28)30-13-15-8-6-7-9-18(15)23/h6-11,14H,12-13H2,1-5H3,(H,26,28)
InChIKeyFXOMSVIIPYHHGU-UHFFFAOYSA-N
XLogP5.41
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.02
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate
CID 66928938
(2-chlorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929105
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
CID 42645812
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
methyl 2-[[4-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344672
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750
(2-chloro-4-fluorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929108
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528241

Frequently Asked Questions

What is the IUPAC name of CID 66928977?
The IUPAC name of CID 66928977 (CID 66928977) is not available.
What is the SMILES notation for CID 66928977?
The canonical SMILES for CID 66928977 is CC(C)(C)[Si]OC(C)(C)c1nc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)co1.
What is the InChIKey of CID 66928977?
The InChIKey is FXOMSVIIPYHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4Si/c1-21(2,3)32-31-22(4,5)19-25-17(14-29-19)12-27-11-16(10-24-27)26-20(28)30-13-15-8-6-7-9-18(15)23/h6-11,14H,12-13H2,1-5H3,(H,26,28).
What are the key properties of CID 66928977?
CID 66928977 has a molecular weight of 475.02 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66928977 is sourced from PubChem (CID 66928977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).