[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate

C23H21F5N6O2 — CID 138619553

IUPAC[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate
SMILESCCC(OC(=O)C(F)(F)F)(c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1)C(F)F
InChIInChI=1S/C23H21F5N6O2/c1-4-22(20(24)25,36-21(35)23(26,27)28)13-6-5-12(2)14(9-13)17-10-30-19-18(29)32-15(11-34(17)19)16-7-8-31-33(16)3/h5-11,20H,4H2,1-3H3,(H2,29,32)
InChIKeyJWUDQYLDAGBKMR-UHFFFAOYSA-N
MW508.45 g/mol
LogP4.66
Rot. Bonds6

About [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate

[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 138619553) has the molecular formula C23H21F5N6O2 and a molecular weight of 508.45 g/mol. Its IUPAC name is [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate
PubChem CID138619553
Molecular FormulaC23H21F5N6O2
Molecular Weight508.45 g/mol
Exact Mass508.16
IUPAC Name[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate
SMILESCCC(OC(=O)C(F)(F)F)(c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1)C(F)F
InChIInChI=1S/C23H21F5N6O2/c1-4-22(20(24)25,36-21(35)23(26,27)28)13-6-5-12(2)14(9-13)17-10-30-19-18(29)32-15(11-34(17)19)16-7-8-31-33(16)3/h5-11,20H,4H2,1-3H3,(H2,29,32)
InChIKeyJWUDQYLDAGBKMR-UHFFFAOYSA-N
XLogP4.66
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11431027
US9884868, Example 265''
CID 122510505
US10738057, Example 32
CID 138561694
US10738057, Example 264
CID 138562149
US10738057, Example 1
CID 138562240
US10738057, Example 24
CID 138562261
US10738057, Example 61
CID 138562282
US10738057, Example 13
CID 138562333
US10738057, Example 2
CID 138562529
US10738057, Example 112
CID 138562650
US10738057, Example 3
CID 138562702
US11225486, Example 69
CID 138562721

Frequently Asked Questions

What is the IUPAC name of [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate (CID 138619553) is [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate is CCC(OC(=O)C(F)(F)F)(c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1)C(F)F.
What is the InChIKey of [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is JWUDQYLDAGBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N6O2/c1-4-22(20(24)25,36-21(35)23(26,27)28)13-6-5-12(2)14(9-13)17-10-30-19-18(29)32-15(11-34(17)19)16-7-8-31-33(16)3/h5-11,20H,4H2,1-3H3,(H2,29,32).
What are the key properties of [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate?
[2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 508.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 138619553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).