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

C21H10F7N5O — CID 135227359

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

3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227359) has the molecular formula C21H10F7N5O and a molecular weight of 481.33 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
• PubChem CID: 135227359
• Molecular Formula: C21H10F7N5O
• Molecular Weight: 481.33 g/mol
• Exact Mass: 481.08
• IUPAC Name: 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
• SMILES: Fc1c(-c2c(C(F)(F)F)nc3cnc(-c4cccc(OC(F)(F)F)c4)cn23)ccc2[nH]ncc12
• InChI: InChI=1S/C21H10F7N5O/c22-17-12(4-5-14-13(17)7-30-32-14)18-19(20(23,24)25)31-16-8-29-15(9-33(16)18)10-2-1-3-11(6-10)34-21(26,27)28/h1-9H,(H,30,32)
• InChIKey: KMYCFJONLLGGQM-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.33
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227359) is 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1c(-c2c(C(F)(F)F)nc3cnc(-c4cccc(OC(F)(F)F)c4)cn23)ccc2[nH]ncc12.

What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?

The InChIKey is KMYCFJONLLGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F7N5O/c22-17-12(4-5-14-13(17)7-30-32-14)18-19(20(23,24)25)31-16-8-29-15(9-33(16)18)10-2-1-3-11(6-10)34-21(26,27)28/h1-9H,(H,30,32).

What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?

3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 481.33 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).