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

C21H17F7N4O2 — CID 138562283

IUPAC[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C2(OC(=O)C(F)(F)F)CCCC2F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C21H17F7N4O2/c1-10-4-5-11(19(6-2-3-14(19)22)34-18(33)21(26,27)28)7-12(10)13-8-30-17-16(29)31-15(9-32(13)17)20(23,24)25/h4-5,7-9,14H,2-3,6H2,1H3,(H2,29,31)
InChIKeyPSUXBAUNECAAMA-UHFFFAOYSA-N
MW490.38 g/mol
LogP5.13
Rot. Bonds3

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

[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate (PubChem CID 138562283) has the molecular formula C21H17F7N4O2 and a molecular weight of 490.38 g/mol. Its IUPAC name is [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate
PubChem CID138562283
Molecular FormulaC21H17F7N4O2
Molecular Weight490.38 g/mol
Exact Mass490.12
IUPAC Name[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C2(OC(=O)C(F)(F)F)CCCC2F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C21H17F7N4O2/c1-10-4-5-11(19(6-2-3-14(19)22)34-18(33)21(26,27)28)7-12(10)13-8-30-17-16(29)31-15(9-32(13)17)20(23,24)25/h4-5,7-9,14H,2-3,6H2,1H3,(H2,29,31)
InChIKeyPSUXBAUNECAAMA-UHFFFAOYSA-N
XLogP5.13
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

US10208047, Example 4
CID 121461230
US10208047, Example 5
CID 121461235
US10208047, Example 18
CID 121461238
US10208047, Example 17
CID 121461239
US10208047, Example 16
CID 121461345
US10738057, Example 169
CID 138561173
US10738057, Example 4
CID 138561369
US10738057, Example 56
CID 138561438
US10738057, Example 82
CID 138561469
US10738057, Example 17
CID 138561476
US10738057, Example 76
CID 138561482
US10738057, Example 89
CID 138561488

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-fluorocyclopentyl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate (CID 138562283) is [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 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-fluorocyclopentyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate is Cc1ccc(C2(OC(=O)C(F)(F)F)CCCC2F)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-fluorocyclopentyl] 2,2,2-trifluoroacetate?
The InChIKey is PSUXBAUNECAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F7N4O2/c1-10-4-5-11(19(6-2-3-14(19)22)34-18(33)21(26,27)28)7-12(10)13-8-30-17-16(29)31-15(9-32(13)17)20(23,24)25/h4-5,7-9,14H,2-3,6H2,1H3,(H2,29,31).
What are the key properties of [1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate?
[1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2-fluorocyclopentyl] 2,2,2-trifluoroacetate has a molecular weight of 490.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-fluorocyclopentyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 138562283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).