[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate

C20H13F9N8O2 — CID 138562401

IUPAC[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C(OC(=O)C(F)(F)F)(c2nnnn2C)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C20H13F9N8O2/c1-8-3-4-9(5-10(8)11-6-31-14-13(30)32-12(7-37(11)14)18(21,22)23)17(20(27,28)29,15-33-34-35-36(15)2)39-16(38)19(24,25)26/h3-7H,1-2H3,(H2,30,32)
InChIKeyOLYSXCYBNXEJFY-UHFFFAOYSA-N
MW568.36 g/mol
LogP3.74
Rot. Bonds4

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)ethyl] 2,2,2-trifluoroacetate

[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate (PubChem CID 138562401) has the molecular formula C20H13F9N8O2 and a molecular weight of 568.36 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)ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate
PubChem CID138562401
Molecular FormulaC20H13F9N8O2
Molecular Weight568.36 g/mol
Exact Mass568.10
IUPAC Name[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C(OC(=O)C(F)(F)F)(c2nnnn2C)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C20H13F9N8O2/c1-8-3-4-9(5-10(8)11-6-31-14-13(30)32-12(7-37(11)14)18(21,22)23)17(20(27,28)29,15-33-34-35-36(15)2)39-16(38)19(24,25)26/h3-7H,1-2H3,(H2,30,32)
InChIKeyOLYSXCYBNXEJFY-UHFFFAOYSA-N
XLogP3.74
TPSA126.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
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)ethyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

US10738057, Example 4
CID 138561369
US10738057, Example 264
CID 138562149
US10738057, Example 24
CID 138562261
US10738057, Example 8
CID 138562279
US10738057, Example 61
CID 138562282
US10738057, Example 13
CID 138562333
US10738057, Example 25
CID 138576371
US10738057, Example 49
CID 138576375
US10738057, Example 51
CID 138576392
US10738057, Example 50
CID 138576393
US10738057, Example 38
CID 138619336
US10738057, Example 43
CID 138619346

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)ethyl] 2,2,2-trifluoroacetate?
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)ethyl] 2,2,2-trifluoroacetate (CID 138562401) 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)ethyl] 2,2,2-trifluoroacetate.
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)ethyl] 2,2,2-trifluoroacetate?
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)ethyl] 2,2,2-trifluoroacetate is Cc1ccc(C(OC(=O)C(F)(F)F)(c2nnnn2C)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]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate?
The InChIKey is OLYSXCYBNXEJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F9N8O2/c1-8-3-4-9(5-10(8)11-6-31-14-13(30)32-12(7-37(11)14)18(21,22)23)17(20(27,28)29,15-33-34-35-36(15)2)39-16(38)19(24,25)26/h3-7H,1-2H3,(H2,30,32).
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)ethyl] 2,2,2-trifluoroacetate?
[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethyl] 2,2,2-trifluoroacetate has a molecular weight of 568.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 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)ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 138562401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).