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

C21H9F8N5 — CID 135227315

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C21H9F8N5/c22-13-3-1-9(5-12(13)20(24,25)26)15-8-34-16(7-30-15)32-19(21(27,28)29)18(34)10-2-4-14-11(17(10)23)6-31-33-14/h1-8H,(H,31,33)
InChIKeyLZZRVURJYSMASY-UHFFFAOYSA-N
MW483.32 g/mol
LogP6.26
Rot. Bonds2

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

3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227315) has the molecular formula C21H9F8N5 and a molecular weight of 483.32 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227315
Molecular FormulaC21H9F8N5
Molecular Weight483.32 g/mol
Exact Mass483.07
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)F
InChIInChI=1S/C21H9F8N5/c22-13-3-1-9(5-12(13)20(24,25)26)15-8-34-16(7-30-15)32-19(21(27,28)29)18(34)10-2-4-14-11(17(10)23)6-31-33-14/h1-8H,(H,31,33)
InChIKeyLZZRVURJYSMASY-UHFFFAOYSA-N
XLogP6.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.32
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227315) is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is LZZRVURJYSMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9F8N5/c22-13-3-1-9(5-12(13)20(24,25)26)15-8-34-16(7-30-15)32-19(21(27,28)29)18(34)10-2-4-14-11(17(10)23)6-31-33-14/h1-8H,(H,31,33).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 483.32 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).