1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol

C19H16F6N4O — CID 138561796

IUPAC1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol
SMILESCc1ccc(C(O)(C2CC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H16F6N4O/c1-9-2-3-11(17(30,10-4-5-10)19(23,24)25)6-12(9)13-7-27-16-15(26)28-14(8-29(13)16)18(20,21)22/h2-3,6-8,10,30H,4-5H2,1H3,(H2,26,28)
InChIKeyFYTNDBMJFQRFBF-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.47
Rot. Bonds3

About 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol

1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol (PubChem CID 138561796) has the molecular formula C19H16F6N4O and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol
PubChem CID138561796
Molecular FormulaC19H16F6N4O
Molecular Weight430.35 g/mol
Exact Mass430.12
IUPAC Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol
SMILESCc1ccc(C(O)(C2CC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H16F6N4O/c1-9-2-3-11(17(30,10-4-5-10)19(23,24)25)6-12(9)13-7-27-16-15(26)28-14(8-29(13)16)18(20,21)22/h2-3,6-8,10,30H,4-5H2,1H3,(H2,26,28)
InChIKeyFYTNDBMJFQRFBF-UHFFFAOYSA-N
XLogP4.47
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

TP003
CID 10001434
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
2-[2-Fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
CID 10000391
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
6-Fluoro-2-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 86730382
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892
3,5-Difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287267
4-[2-Cyclopropyl-6-[4-fluoro-3-(perfluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 137287269
3,5-Difluoro-4-[6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287279
4-[2-Cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 137301405

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol (CID 138561796) is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol is Cc1ccc(C(O)(C2CC2)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol?
The InChIKey is FYTNDBMJFQRFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O/c1-9-2-3-11(17(30,10-4-5-10)19(23,24)25)6-12(9)13-7-27-16-15(26)28-14(8-29(13)16)18(20,21)22/h2-3,6-8,10,30H,4-5H2,1H3,(H2,26,28).
What are the key properties of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol?
1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol has a molecular weight of 430.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-cyclopropyl-2,2,2-trifluoroethanol is sourced from PubChem (CID 138561796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).