1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine

C21H19FN4 — CID 118598389

IUPAC1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
SMILESCC(C)(C)n1cnc2nc(-c3cccc(-c4ccccc4)c3F)cnc21
InChIInChI=1S/C21H19FN4/c1-21(2,3)26-13-24-19-20(26)23-12-17(25-19)16-11-7-10-15(18(16)22)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyIQZZRUKFTXJMNT-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.05
Rot. Bonds2

About 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine

1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine (PubChem CID 118598389) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
PubChem CID118598389
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
SMILESCC(C)(C)n1cnc2nc(-c3cccc(-c4ccccc4)c3F)cnc21
InChIInChI=1S/C21H19FN4/c1-21(2,3)26-13-24-19-20(26)23-12-17(25-19)16-11-7-10-15(18(16)22)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyIQZZRUKFTXJMNT-UHFFFAOYSA-N
XLogP5.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine?
The IUPAC name of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine (CID 118598389) is 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine?
The canonical SMILES for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine is CC(C)(C)n1cnc2nc(-c3cccc(-c4ccccc4)c3F)cnc21.
What is the InChIKey of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine?
The InChIKey is IQZZRUKFTXJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c1-21(2,3)26-13-24-19-20(26)23-12-17(25-19)16-11-7-10-15(18(16)22)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine?
1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine has a molecular weight of 346.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine is sourced from PubChem (CID 118598389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).