2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine

C28H37FN6OSi — CID 69350967

IUPAC2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(CCN(C)C)cn3)c2)n1
InChIInChI=1S/C28H37FN6OSi/c1-21-8-7-9-26(31-21)28-24(17-35(32-28)20-36-14-15-37(4,5)6)22-10-11-25(29)23(16-22)27-18-34(19-30-27)13-12-33(2)3/h7-11,16-19H,12-15,20H2,1-6H3
InChIKeyVRCDVNGWFNEBSO-UHFFFAOYSA-N
MW520.73 g/mol
LogP5.80
Rot. Bonds11

About 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine

2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 69350967) has the molecular formula C28H37FN6OSi and a molecular weight of 520.73 g/mol. Its IUPAC name is 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID69350967
Molecular FormulaC28H37FN6OSi
Molecular Weight520.73 g/mol
Exact Mass520.28
IUPAC Name2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(CCN(C)C)cn3)c2)n1
InChIInChI=1S/C28H37FN6OSi/c1-21-8-7-9-26(31-21)28-24(17-35(32-28)20-36-14-15-37(4,5)6)22-10-11-25(29)23(16-22)27-18-34(19-30-27)13-12-33(2)3/h7-11,16-19H,12-15,20H2,1-6H3
InChIKeyVRCDVNGWFNEBSO-UHFFFAOYSA-N
XLogP5.80
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.73
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine (CID 69350967) is 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(CCN(C)C)cn3)c2)n1.
What is the InChIKey of 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is VRCDVNGWFNEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN6OSi/c1-21-8-7-9-26(31-21)28-24(17-35(32-28)20-36-14-15-37(4,5)6)22-10-11-25(29)23(16-22)27-18-34(19-30-27)13-12-33(2)3/h7-11,16-19H,12-15,20H2,1-6H3.
What are the key properties of 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 520.73 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 69350967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).