5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid

C22H23F3N6O2 — CID 117078843

IUPAC5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)CNc1ncc(-c2cnn(Cc3ccccc3)c2)n2ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N6.C2HF3O2/c1-15(2)10-22-19-20-21-8-9-26(20)18(12-23-19)17-11-24-25(14-17)13-16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,23);(H,6,7)
InChIKeyLTJUCVDAVIJJNP-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.34
Rot. Bonds6

About 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid

5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid (PubChem CID 117078843) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid
PubChem CID117078843
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)CNc1ncc(-c2cnn(Cc3ccccc3)c2)n2ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N6.C2HF3O2/c1-15(2)10-22-19-20-21-8-9-26(20)18(12-23-19)17-11-24-25(14-17)13-16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,23);(H,6,7)
InChIKeyLTJUCVDAVIJJNP-UHFFFAOYSA-N
XLogP4.34
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid (CID 117078843) is 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid is CC(C)CNc1ncc(-c2cnn(Cc3ccccc3)c2)n2ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LTJUCVDAVIJJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6.C2HF3O2/c1-15(2)10-22-19-20-21-8-9-26(20)18(12-23-19)17-11-24-25(14-17)13-16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,23);(H,6,7).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid?
5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid has a molecular weight of 460.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117078843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).