7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C24H28F6N6O5 — CID 155835005

About 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155835005) has the molecular formula C24H28F6N6O5 and a molecular weight of 594.51 g/mol. Its IUPAC name is 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155835005
• Molecular Formula: C24H28F6N6O5
• Molecular Weight: 594.51 g/mol
• Exact Mass: 594.20
• IUPAC Name: 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCn1cc(CN2Cc3cncn3C(COCc3cccc(C)n3)C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H26N6O.2C2HF3O2/c1-3-25-10-17(7-22-25)9-24-11-19-8-21-15-26(19)20(12-24)14-27-13-18-6-4-5-16(2)23-18;2*3-2(4,5)1(6)7/h4-8,10,15,20H,3,9,11-14H2,1-2H3;2*(H,6,7)
• InChIKey: HQRPQKKICKVYNR-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 135.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.51
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155835005) is 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CCn1cc(CN2Cc3cncn3C(COCc3cccc(C)n3)C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HQRPQKKICKVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O.2C2HF3O2/c1-3-25-10-17(7-22-25)9-24-11-19-8-21-15-26(19)20(12-24)14-27-13-18-6-4-5-16(2)23-18;2*3-2(4,5)1(6)7/h4-8,10,15,20H,3,9,11-14H2,1-2H3;2*(H,6,7).

What are the key properties of 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 594.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1-ethylpyrazol-4-yl)methyl]-5-[(6-methyl-2-pyridinyl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155835005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).