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

C21H9F8N5O — CID 135223478

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1OC(F)(F)F
InChIInChI=1S/C21H9F8N5O/c22-12-3-1-9(5-15(12)35-21(27,28)29)14-8-34-16(7-30-14)32-19(20(24,25)26)18(34)10-2-4-13-11(17(10)23)6-31-33-13/h1-8H,(H,31,33)
InChIKeyZPBZWKBVJGJZPH-UHFFFAOYSA-N
MW499.32 g/mol
LogP6.14
Rot. Bonds3

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

3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135223478) has the molecular formula C21H9F8N5O and a molecular weight of 499.32 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135223478
Molecular FormulaC21H9F8N5O
Molecular Weight499.32 g/mol
Exact Mass499.07
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1OC(F)(F)F
InChIInChI=1S/C21H9F8N5O/c22-12-3-1-9(5-15(12)35-21(27,28)29)14-8-34-16(7-30-14)32-19(20(24,25)26)18(34)10-2-4-13-11(17(10)23)6-31-33-13/h1-8H,(H,31,33)
InChIKeyZPBZWKBVJGJZPH-UHFFFAOYSA-N
XLogP6.14
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.32
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135223478) is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1OC(F)(F)F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is ZPBZWKBVJGJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9F8N5O/c22-12-3-1-9(5-15(12)35-21(27,28)29)14-8-34-16(7-30-14)32-19(20(24,25)26)18(34)10-2-4-13-11(17(10)23)6-31-33-13/h1-8H,(H,31,33).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 499.32 g/mol, XLogP of 6.14, 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-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135223478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).