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

C24H19F4N5O — CID 159568879

IUPAC2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C24H19F4N5O/c1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17/h4-12H,1-3H3,(H,30,32)
InChIKeyDFWXLUHJRQPFDH-UHFFFAOYSA-N
MW469.44 g/mol
LogP6.12
Rot. Bonds5

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

2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 159568879) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID159568879
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F
InChIInChI=1S/C24H19F4N5O/c1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17/h4-12H,1-3H3,(H,30,32)
InChIKeyDFWXLUHJRQPFDH-UHFFFAOYSA-N
XLogP6.12
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227359
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-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 146484053
pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
CID 142401426
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine
CID 135227350
3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 158029609
3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401417
5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
CID 142401443
6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157221953
[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 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 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) is 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine is CC(C)Oc1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(C)(F)F)nc3cn2)ccc1F.
What is the InChIKey of 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is DFWXLUHJRQPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c1-12(2)34-19-8-13(4-6-16(19)25)18-11-33-20(10-29-18)31-23(24(3,27)28)22(33)14-5-7-17-15(21(14)26)9-30-32-17/h4-12H,1-3H3,(H,30,32).
What are the key properties of 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine?
2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 469.44 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159568879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).