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

C21H10F7N5 — CID 135227358

IUPAC3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1c(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C21H10F7N5/c22-17-12(4-5-14-13(17)7-30-32-14)18-19(21(26,27)28)31-16-8-29-15(9-33(16)18)10-2-1-3-11(6-10)20(23,24)25/h1-9H,(H,30,32)
InChIKeyWLXUZHJKAQBQSM-UHFFFAOYSA-N
MW465.33 g/mol
LogP6.12
Rot. Bonds2

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

3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 135227358) has the molecular formula C21H10F7N5 and a molecular weight of 465.33 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID135227358
Molecular FormulaC21H10F7N5
Molecular Weight465.33 g/mol
Exact Mass465.08
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESFc1c(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C21H10F7N5/c22-17-12(4-5-14-13(17)7-30-32-14)18-19(21(26,27)28)31-16-8-29-15(9-33(16)18)10-2-1-3-11(6-10)20(23,24)25/h1-9H,(H,30,32)
InChIKeyWLXUZHJKAQBQSM-UHFFFAOYSA-N
XLogP6.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.33
LogP ≤ 56.12
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)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 135227358) is 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is Fc1c(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)ccc2[nH]ncc12.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is WLXUZHJKAQBQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F7N5/c22-17-12(4-5-14-13(17)7-30-32-14)18-19(21(26,27)28)31-16-8-29-15(9-33(16)18)10-2-1-3-11(6-10)20(23,24)25/h1-9H,(H,30,32).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 465.33 g/mol, XLogP of 6.12, 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)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).