3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine

C26H32FN7OSi — CID 67008038

IUPAC3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
SMILESCC(c1ccc(F)cc1)c1c(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)nc1N
InChIInChI=1S/C26H32FN7OSi/c1-18(19-5-7-21(27)8-6-19)25-22(13-23(33-26(25)28)32-24-15-29-9-10-30-24)20-14-31-34(16-20)17-35-11-12-36(2,3)4/h5-10,13-16,18H,11-12,17H2,1-4H3,(H3,28,30,32,33)
InChIKeyDINSAGPLJIVAKV-UHFFFAOYSA-N
MW505.67 g/mol
LogP5.66
Rot. Bonds10

About 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine

3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine (PubChem CID 67008038) has the molecular formula C26H32FN7OSi and a molecular weight of 505.67 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
PubChem CID67008038
Molecular FormulaC26H32FN7OSi
Molecular Weight505.67 g/mol
Exact Mass505.24
IUPAC Name3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
SMILESCC(c1ccc(F)cc1)c1c(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)nc1N
InChIInChI=1S/C26H32FN7OSi/c1-18(19-5-7-21(27)8-6-19)25-22(13-23(33-26(25)28)32-24-15-29-9-10-30-24)20-14-31-34(16-20)17-35-11-12-36(2,3)4/h5-10,13-16,18H,11-12,17H2,1-4H3,(H3,28,30,32,33)
InChIKeyDINSAGPLJIVAKV-UHFFFAOYSA-N
XLogP5.66
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The IUPAC name of 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine (CID 67008038) is 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine is CC(c1ccc(F)cc1)c1c(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)nc1N.
What is the InChIKey of 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The InChIKey is DINSAGPLJIVAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7OSi/c1-18(19-5-7-21(27)8-6-19)25-22(13-23(33-26(25)28)32-24-15-29-9-10-30-24)20-14-31-34(16-20)17-35-11-12-36(2,3)4/h5-10,13-16,18H,11-12,17H2,1-4H3,(H3,28,30,32,33).
What are the key properties of 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine has a molecular weight of 505.67 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)ethyl]-6-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine is sourced from PubChem (CID 67008038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).