2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C19H19F3N4O — CID 158650156

IUPAC2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESC/C=C/c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C19H19F3N4O/c1-4-5-13-10-26-15(9-24-17(26)16(23)25-13)14-8-12(7-6-11(14)2)18(3,27)19(20,21)22/h4-10,27H,1-3H3,(H2,23,25)/b5-4+
InChIKeyIBLJIRDOZJSUID-SNAWJCMRSA-N
MW376.38 g/mol
LogP4.09
Rot. Bonds3

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

2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 158650156) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID158650156
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESC/C=C/c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C19H19F3N4O/c1-4-5-13-10-26-15(9-24-17(26)16(23)25-13)14-8-12(7-6-11(14)2)18(3,27)19(20,21)22/h4-10,27H,1-3H3,(H2,23,25)/b5-4+
InChIKeyIBLJIRDOZJSUID-SNAWJCMRSA-N
XLogP4.09
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 138561869
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 138562415
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 138619508
8-amino-N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166756579
8-amino-N-[(1-cyanocyclobutyl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 138619337
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
CID 138562354
2-[3-[8-amino-6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619378
N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide
CID 138576398
1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol
CID 175976650
CID 142562208
CID 142562208

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 158650156) is 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[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-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is C/C=C/c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1.
What is the InChIKey of 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is IBLJIRDOZJSUID-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-4-5-13-10-26-15(9-24-17(26)16(23)25-13)14-8-12(7-6-11(14)2)18(3,27)19(20,21)22/h4-10,27H,1-3H3,(H2,23,25)/b5-4+.
What are the key properties of 2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 376.38 g/mol, XLogP of 4.09, 3 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-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 158650156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).