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

C22H11F8N5 — CID 135227344

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1CC(F)(F)F
InChIInChI=1S/C22H11F8N5/c23-14-3-1-10(5-11(14)6-21(25,26)27)16-9-35-17(8-31-16)33-20(22(28,29)30)19(35)12-2-4-15-13(18(12)24)7-32-34-15/h1-5,7-9H,6H2,(H,32,34)
InChIKeySVOYDLZNJANMJR-UHFFFAOYSA-N
MW497.35 g/mol
LogP6.34
Rot. Bonds3

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

3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227344) has the molecular formula C22H11F8N5 and a molecular weight of 497.35 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227344
Molecular FormulaC22H11F8N5
Molecular Weight497.35 g/mol
Exact Mass497.09
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1CC(F)(F)F
InChIInChI=1S/C22H11F8N5/c23-14-3-1-10(5-11(14)6-21(25,26)27)16-9-35-17(8-31-16)33-20(22(28,29)30)19(35)12-2-4-15-13(18(12)24)7-32-34-15/h1-5,7-9H,6H2,(H,32,34)
InChIKeySVOYDLZNJANMJR-UHFFFAOYSA-N
XLogP6.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.35
LogP ≤ 56.34
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-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227344) is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1CC(F)(F)F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is SVOYDLZNJANMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F8N5/c23-14-3-1-10(5-11(14)6-21(25,26)27)16-9-35-17(8-31-16)33-20(22(28,29)30)19(35)12-2-4-15-13(18(12)24)7-32-34-15/h1-5,7-9H,6H2,(H,32,34).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 497.35 g/mol, XLogP of 6.34, 3 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-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).