2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol

C21H20F3N5O2 — CID 166595613

IUPAC2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(C)(O)CC(F)(F)F)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C21H20F3N5O2/c1-11-4-5-13(20(3,30)10-21(22,23)24)6-14(11)16-7-27-19-18(25)28-15(9-29(16)19)17-8-26-12(2)31-17/h4-9,30H,10H2,1-3H3,(H2,25,28)
InChIKeyXAJUIAFNFYLURR-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.41
Rot. Bonds4

About 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol

2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol (PubChem CID 166595613) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol
PubChem CID166595613
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(C)(O)CC(F)(F)F)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C21H20F3N5O2/c1-11-4-5-13(20(3,30)10-21(22,23)24)6-14(11)16-7-27-19-18(25)28-15(9-29(16)19)17-8-26-12(2)31-17/h4-9,30H,10H2,1-3H3,(H2,25,28)
InChIKeyXAJUIAFNFYLURR-UHFFFAOYSA-N
XLogP4.41
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol with MolForge

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Related Compounds

US11225486, Example 71
CID 138561632
US11186580, Example 9
CID 138561869
US10738057, Example 83
CID 138562051
US10738057, Example 284
CID 138562153
US10738057, Example 28
CID 138562185
US10738057, Example 9
CID 138562233
US10738057, Example 84
CID 138562267
US10738057, Example 8
CID 138562279
US10738057, Example 221
CID 138562350
US10738057, Example 52
CID 138576560
US10738057, Example 277
CID 138619341
US10738057, Example 279
CID 138619342

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol (CID 166595613) is 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol is Cc1ncc(-c2cn3c(-c4cc(C(C)(O)CC(F)(F)F)ccc4C)cnc3c(N)n2)o1.
What is the InChIKey of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol?
The InChIKey is XAJUIAFNFYLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-11-4-5-13(20(3,30)10-21(22,23)24)6-14(11)16-7-27-19-18(25)28-15(9-29(16)19)17-8-26-12(2)31-17/h4-9,30H,10H2,1-3H3,(H2,25,28).
What are the key properties of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol?
2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol has a molecular weight of 431.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 166595613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).