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

C22H9F10N5 — CID 135227333

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C22H9F10N5/c23-13-3-1-9(5-12(13)20(25,26)22(30,31)32)15-8-37-16(7-33-15)35-19(21(27,28)29)18(37)10-2-4-14-11(17(10)24)6-34-36-14/h1-8H,(H,34,36)
InChIKeyPUXYWAGWNZGFDK-UHFFFAOYSA-N
MW533.33 g/mol
LogP6.89
Rot. Bonds3

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

3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227333) has the molecular formula C22H9F10N5 and a molecular weight of 533.33 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227333
Molecular FormulaC22H9F10N5
Molecular Weight533.33 g/mol
Exact Mass533.07
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)C(F)(F)F
InChIInChI=1S/C22H9F10N5/c23-13-3-1-9(5-12(13)20(25,26)22(30,31)32)15-8-37-16(7-33-15)35-19(21(27,28)29)18(37)10-2-4-14-11(17(10)24)6-34-36-14/h1-8H,(H,34,36)
InChIKeyPUXYWAGWNZGFDK-UHFFFAOYSA-N
XLogP6.89
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.33
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227333) is 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)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-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)cc1C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is PUXYWAGWNZGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H9F10N5/c23-13-3-1-9(5-12(13)20(25,26)22(30,31)32)15-8-37-16(7-33-15)35-19(21(27,28)29)18(37)10-2-4-14-11(17(10)24)6-34-36-14/h1-8H,(H,34,36).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 533.33 g/mol, XLogP of 6.89, 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-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).