2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C17H17F3N4O — CID 138561688

IUPAC2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C17H17F3N4O/c1-9-4-5-11(16(3,25)17(18,19)20)6-12(9)13-7-22-15-14(21)23-10(2)8-24(13)15/h4-8,25H,1-3H3,(H2,21,23)
InChIKeyYEVUBSDDZZVRCS-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.37
Rot. Bonds2

About 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138561688) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138561688
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C17H17F3N4O/c1-9-4-5-11(16(3,25)17(18,19)20)6-12(9)13-7-22-15-14(21)23-10(2)8-24(13)15/h4-8,25H,1-3H3,(H2,21,23)
InChIKeyYEVUBSDDZZVRCS-UHFFFAOYSA-N
XLogP3.37
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138561688) is 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1.
What is the InChIKey of 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YEVUBSDDZZVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-9-4-5-11(16(3,25)17(18,19)20)6-12(9)13-7-22-15-14(21)23-10(2)8-24(13)15/h4-8,25H,1-3H3,(H2,21,23).
What are the key properties of 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 350.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138561688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).