1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid

C20H15F9N8O3 — CID 138562400

IUPAC1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(O)(c2nnnn2C)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14F6N8O.C2HF3O2/c1-8-3-4-9(16(33,18(22,23)24)15-28-29-30-31(15)2)5-10(8)11-6-26-14-13(25)27-12(7-32(11)14)17(19,20)21;3-2(4,5)1(6)7/h3-7,33H,1-2H3,(H2,25,27);(H,6,7)
InChIKeyJOFKSDFFUORSAV-UHFFFAOYSA-N
MW586.38 g/mol
LogP3.26
Rot. Bonds3

About 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid

1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 138562400) has the molecular formula C20H15F9N8O3 and a molecular weight of 586.38 g/mol. Its IUPAC name is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid
PubChem CID138562400
Molecular FormulaC20H15F9N8O3
Molecular Weight586.38 g/mol
Exact Mass586.11
IUPAC Name1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(O)(c2nnnn2C)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14F6N8O.C2HF3O2/c1-8-3-4-9(16(33,18(22,23)24)15-28-29-30-31(15)2)5-10(8)11-6-26-14-13(25)27-12(7-32(11)14)17(19,20)21;3-2(4,5)1(6)7/h3-7,33H,1-2H3,(H2,25,27);(H,6,7)
InChIKeyJOFKSDFFUORSAV-UHFFFAOYSA-N
XLogP3.26
TPSA157.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.38
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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CID 122510505
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CID 138561173
US10738057, Example 4
CID 138561369
US10738057, Example 56
CID 138561438
US10738057, Example 82
CID 138561469
US10738057, Example 17
CID 138561476
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 15
CID 138561635
US10738057, Example 7
CID 138561688
US10738057, Example 32
CID 138561694
US10738057, Example 64
CID 138561789

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid (CID 138562400) is 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid is Cc1ccc(C(O)(c2nnnn2C)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is JOFKSDFFUORSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N8O.C2HF3O2/c1-8-3-4-9(16(33,18(22,23)24)15-28-29-30-31(15)2)5-10(8)11-6-26-14-13(25)27-12(7-32(11)14)17(19,20)21;3-2(4,5)1(6)7/h3-7,33H,1-2H3,(H2,25,27);(H,6,7).
What are the key properties of 1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid?
1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 586.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 10 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]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138562400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).