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

C22H12F7N5 — CID 162653254

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C22H12F7N5/c1-10-12(3-5-16-13(10)7-31-33-16)19-20(22(27,28)29)32-18-8-30-17(9-34(18)19)11-2-4-15(23)14(6-11)21(24,25)26/h2-9H,1H3,(H,31,33)
InChIKeyLSDJOYADIZZUJN-UHFFFAOYSA-N
MW479.36 g/mol
LogP6.42
Rot. Bonds2

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

6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 162653254) has the molecular formula C22H12F7N5 and a molecular weight of 479.36 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID162653254
Molecular FormulaC22H12F7N5
Molecular Weight479.36 g/mol
Exact Mass479.10
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)ccc2[nH]ncc12
InChIInChI=1S/C22H12F7N5/c1-10-12(3-5-16-13(10)7-31-33-16)19-20(22(27,28)29)32-18-8-30-17(9-34(18)19)11-2-4-15(23)14(6-11)21(24,25)26/h2-9H,1H3,(H,31,33)
InChIKeyLSDJOYADIZZUJN-UHFFFAOYSA-N
XLogP6.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(4-chloro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223491
3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 158029609
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
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
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
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
CID 135227350
5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
CID 142401443
4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 146301764
[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

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 162653254) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1c(-c2c(C(F)(F)F)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)ccc2[nH]ncc12.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is LSDJOYADIZZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F7N5/c1-10-12(3-5-16-13(10)7-31-33-16)19-20(22(27,28)29)32-18-8-30-17(9-34(18)19)11-2-4-15(23)14(6-11)21(24,25)26/h2-9H,1H3,(H,31,33).
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 479.36 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162653254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).