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

C23H16ClF4N5 — CID 135223491

IUPAC3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4Cl)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16ClF4N5/c1-11(2)14-7-12(3-5-16(14)25)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)24)8-30-32-17/h3-11H,1-2H3,(H,30,32)
InChIKeyWXDOTQJIVNPGAR-UHFFFAOYSA-N
MW473.86 g/mol
LogP6.87
Rot. Bonds3

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

3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135223491) has the molecular formula C23H16ClF4N5 and a molecular weight of 473.86 g/mol. Its IUPAC name is 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135223491
Molecular FormulaC23H16ClF4N5
Molecular Weight473.86 g/mol
Exact Mass473.10
IUPAC Name3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4Cl)c(C(F)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C23H16ClF4N5/c1-11(2)14-7-12(3-5-16(14)25)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)24)8-30-32-17/h3-11H,1-2H3,(H,30,32)
InChIKeyWXDOTQJIVNPGAR-UHFFFAOYSA-N
XLogP6.87
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.86
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 162653254
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
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
CID 135227350
2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 159568879
3-(4-fluoro-1H-indazol-5-yl)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 146484053
3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227359
3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 158029609
pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
CID 142401426
3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401417
[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
CID 159851639
5-chloro-4-propan-2-yl-1H-indazole
CID 130218938
2-methoxy-5-[6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401392

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135223491) is 3-(4-chloro-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-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-chloro-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]ncc5c4Cl)c(C(F)(F)F)nc3cn2)ccc1F.
What is the InChIKey of 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is WXDOTQJIVNPGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF4N5/c1-11(2)14-7-12(3-5-16(14)25)18-10-33-19(9-29-18)31-22(23(26,27)28)21(33)13-4-6-17-15(20(13)24)8-30-32-17/h3-11H,1-2H3,(H,30,32).
What are the key properties of 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 473.86 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135223491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).