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

C23H28F6N4O6 — CID 155826860

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

7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826860) has the molecular formula C23H28F6N4O6 and a molecular weight of 570.49 g/mol. Its IUPAC name is 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155826860
• Molecular Formula: C23H28F6N4O6
• Molecular Weight: 570.49 g/mol
• Exact Mass: 570.19
• IUPAC Name: 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(COCC2CN(C3CCOCC3)Cc3ccnn32)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H26N4O2.2C2HF3O2/c1-15-3-2-4-16(21-15)13-25-14-19-12-22(17-6-9-24-10-7-17)11-18-5-8-20-23(18)19;2*3-2(4,5)1(6)7/h2-5,8,17,19H,6-7,9-14H2,1H3;2*(H,6,7)
• InChIKey: NZSWUJGGOHMLMS-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 127.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.49
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155826860) is 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cc1cccc(COCC2CN(C3CCOCC3)Cc3ccnn32)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is NZSWUJGGOHMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.2C2HF3O2/c1-15-3-2-4-16(21-15)13-25-14-19-12-22(17-6-9-24-10-7-17)11-18-5-8-20-23(18)19;2*3-2(4,5)1(6)7/h2-5,8,17,19H,6-7,9-14H2,1H3;2*(H,6,7).

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

7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 570.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).