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

C22H13F5N4 — CID 158029609

IUPAC3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1cc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C22H13F5N4/c1-11-8-12(2-4-15(11)23)17-10-31-18(9-29-17)30-21(22(25,26)27)20(31)14-3-5-16-13(19(14)24)6-7-28-16/h2-10,28H,1H3
InChIKeyFHADUUVCZVVRMB-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.15
Rot. Bonds2

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

3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 158029609) has the molecular formula C22H13F5N4 and a molecular weight of 428.36 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID158029609
Molecular FormulaC22H13F5N4
Molecular Weight428.36 g/mol
Exact Mass428.11
IUPAC Name3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1cc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C22H13F5N4/c1-11-8-12(2-4-15(11)23)17-10-31-18(9-29-17)30-21(22(25,26)27)20(31)14-3-5-16-13(19(14)24)6-7-28-16/h2-10,28H,1H3
InChIKeyFHADUUVCZVVRMB-UHFFFAOYSA-N
XLogP6.15
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 158029609) is 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1cc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C(F)(F)F)nc3cn2)ccc1F.
What is the InChIKey of 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is FHADUUVCZVVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N4/c1-11-8-12(2-4-15(11)23)17-10-31-18(9-29-17)30-21(22(25,26)27)20(31)14-3-5-16-13(19(14)24)6-7-28-16/h2-10,28H,1H3.
What are the key properties of 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 428.36 g/mol, XLogP of 6.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 158029609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).