6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C20H9BrF5N5 — CID 142401432

IUPAC6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1Br
InChIInChI=1S/C20H9BrF5N5/c21-12-5-9(1-3-13(12)22)15-8-31-16(7-27-15)29-19(20(24,25)26)18(31)10-2-4-14-11(17(10)23)6-28-30-14/h1-8H,(H,28,30)
InChIKeyVZPUIRNHORMSCZ-UHFFFAOYSA-N
MW494.22 g/mol
LogP6.00
Rot. Bonds2

About 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 142401432) has the molecular formula C20H9BrF5N5 and a molecular weight of 494.22 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID142401432
Molecular FormulaC20H9BrF5N5
Molecular Weight494.22 g/mol
Exact Mass493.00
IUPAC Name6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1Br
InChIInChI=1S/C20H9BrF5N5/c21-12-5-9(1-3-13(12)22)15-8-31-16(7-27-15)29-19(20(24,25)26)18(31)10-2-4-14-11(17(10)23)6-28-30-14/h1-8H,(H,28,30)
InChIKeyVZPUIRNHORMSCZ-UHFFFAOYSA-N
XLogP6.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.22
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 142401432) is 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1Br.
What is the InChIKey of 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is VZPUIRNHORMSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9BrF5N5/c21-12-5-9(1-3-13(12)22)15-8-31-16(7-27-15)29-19(20(24,25)26)18(31)10-2-4-14-11(17(10)23)6-28-30-14/h1-8H,(H,28,30).
What are the key properties of 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 494.22 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142401432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).