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

C23H16F5N5O — CID 135227324

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16F5N5O/c1-11(2)34-18-7-12(3-5-15(18)24)17-10-33-19(9-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)8-30-32-16/h3-11H,1-2H3,(H,30,32)
InChIKeyQPEBDURBQGGHPQ-UHFFFAOYSA-N
MW473.41 g/mol
LogP6.02
Rot. Bonds4

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

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227324) has the molecular formula C23H16F5N5O and a molecular weight of 473.41 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227324
Molecular FormulaC23H16F5N5O
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16F5N5O/c1-11(2)34-18-7-12(3-5-15(18)24)17-10-33-19(9-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)8-30-32-16/h3-11H,1-2H3,(H,30,32)
InChIKeyQPEBDURBQGGHPQ-UHFFFAOYSA-N
XLogP6.02
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227324) is 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-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-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC(C)Oc1cc(-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-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is QPEBDURBQGGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5O/c1-11(2)34-18-7-12(3-5-15(18)24)17-10-33-19(9-29-17)31-22(23(26,27)28)21(33)13-4-6-16-14(20(13)25)8-30-32-16/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-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 473.41 g/mol, XLogP of 6.02, 4 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-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).