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

C23H16F5N5 — CID 135227343

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16F5N5/c1-11(2)14-7-12(3-5-16(14)24)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)25)8-30-32-17/h3-11H,1-2H3,(H,30,32)
InChIKeyWDXWJQHSWIRCAG-UHFFFAOYSA-N
MW457.41 g/mol
LogP6.36
Rot. Bonds3

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

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227343) has the molecular formula C23H16F5N5 and a molecular weight of 457.41 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227343
Molecular FormulaC23H16F5N5
Molecular Weight457.41 g/mol
Exact Mass457.13
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16F5N5/c1-11(2)14-7-12(3-5-16(14)24)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)25)8-30-32-17/h3-11H,1-2H3,(H,30,32)
InChIKeyWDXWJQHSWIRCAG-UHFFFAOYSA-N
XLogP6.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 56.36
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-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227343) is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is WDXWJQHSWIRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5/c1-11(2)14-7-12(3-5-16(14)24)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)25)8-30-32-17/h3-11H,1-2H3,(H,30,32).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 457.41 g/mol, XLogP of 6.36, 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-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).