1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine

C21H13F3N4O — CID 146025728

IUPAC1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)16-13-14(29-20-18-4-2-10-27(18)11-8-26-20)6-7-15(16)17-3-1-5-19-25-9-12-28(17)19/h1-13H
InChIKeyDRHIFXXZSQOMKD-UHFFFAOYSA-N
MW394.36 g/mol
LogP5.46
Rot. Bonds3

About 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine

1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine (PubChem CID 146025728) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine
PubChem CID146025728
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)16-13-14(29-20-18-4-2-10-27(18)11-8-26-20)6-7-15(16)17-3-1-5-19-25-9-12-28(17)19/h1-13H
InChIKeyDRHIFXXZSQOMKD-UHFFFAOYSA-N
XLogP5.46
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine (CID 146025728) is 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine is FC(F)(F)c1cc(Oc2nccn3cccc23)ccc1-c1cccc2nccn12.
What is the InChIKey of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine?
The InChIKey is DRHIFXXZSQOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-21(23,24)16-13-14(29-20-18-4-2-10-27(18)11-8-26-20)6-7-15(16)17-3-1-5-19-25-9-12-28(17)19/h1-13H.
What are the key properties of 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine?
1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine has a molecular weight of 394.36 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 146025728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).