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

C26H32FN7OSi — CID 86659388

IUPAC6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN7OSi/c1-19(20-5-7-23(27)8-6-20)31-24-13-21(14-25(32-24)33-26-16-28-9-10-29-26)22-15-30-34(17-22)18-35-11-12-36(2,3)4/h5-10,13-17,19H,11-12,18H2,1-4H3,(H2,29,31,32,33)/t19-/m0/s1
InChIKeyGDIWCHQLDOCOLJ-IBGZPJMESA-N
MW505.67 g/mol
LogP6.10
Rot. Bonds11

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

6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine (PubChem CID 86659388) has the molecular formula C26H32FN7OSi and a molecular weight of 505.67 g/mol. Its IUPAC name is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
PubChem CID86659388
Molecular FormulaC26H32FN7OSi
Molecular Weight505.67 g/mol
Exact Mass505.24
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN7OSi/c1-19(20-5-7-23(27)8-6-20)31-24-13-21(14-25(32-24)33-26-16-28-9-10-29-26)22-15-30-34(17-22)18-35-11-12-36(2,3)4/h5-10,13-17,19H,11-12,18H2,1-4H3,(H2,29,31,32,33)/t19-/m0/s1
InChIKeyGDIWCHQLDOCOLJ-IBGZPJMESA-N
XLogP6.10
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 56.10
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 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine (CID 86659388) is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine is C[C@H](Nc1cc(-c2cnn(COCC[Si](C)(C)C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
The InChIKey is GDIWCHQLDOCOLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32FN7OSi/c1-19(20-5-7-23(27)8-6-20)31-24-13-21(14-25(32-24)33-26-16-28-9-10-29-26)22-15-30-34(17-22)18-35-11-12-36(2,3)4/h5-10,13-17,19H,11-12,18H2,1-4H3,(H2,29,31,32,33)/t19-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine?
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-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 6.10, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-yl-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyridine-2,6-diamine is sourced from PubChem (CID 86659388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).