5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C23H28F6N4O5 — CID 155825687

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

5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155825687) has the molecular formula C23H28F6N4O5 and a molecular weight of 554.49 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825687
• Molecular Formula: C23H28F6N4O5
• Molecular Weight: 554.49 g/mol
• Exact Mass: 554.20
• IUPAC Name: 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(COCC2CN(CC3CCC3)Cc3ccnn32)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H26N4O.2C2HF3O2/c1-15-4-2-7-17(21-15)13-24-14-19-12-22(10-16-5-3-6-16)11-18-8-9-20-23(18)19;2*3-2(4,5)1(6)7/h2,4,7-9,16,19H,3,5-6,10-14H2,1H3;2*(H,6,7)
• InChIKey: DZVFZZCQFAZADP-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 117.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155825687) is 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cc1cccc(COCC2CN(CC3CCC3)Cc3ccnn32)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is DZVFZZCQFAZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2C2HF3O2/c1-15-4-2-7-17(21-15)13-24-14-19-12-22(10-16-5-3-6-16)11-18-8-9-20-23(18)19;2*3-2(4,5)1(6)7/h2,4,7-9,16,19H,3,5-6,10-14H2,1H3;2*(H,6,7).

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

5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 554.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclobutylmethyl)-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).