2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

C22H24F3N5O4 — CID 155844147

About 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155844147) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155844147
• Molecular Formula: C22H24F3N5O4
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.18
• IUPAC Name: 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(CN2Cc3ccnn3C(CC(=O)NCc3cccnc3)C2)o1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H23N5O2.C2HF3O2/c1-15-4-5-19(27-15)14-24-12-17-6-8-23-25(17)18(13-24)9-20(26)22-11-16-3-2-7-21-10-16;3-2(4,5)1(6)7/h2-8,10,18H,9,11-14H2,1H3,(H,22,26);(H,6,7)
• InChIKey: QCOFDWRQBJZWMQ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 113.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (CID 155844147) is 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2Cc3ccnn3C(CC(=O)NCc3cccnc3)C2)o1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is QCOFDWRQBJZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C2HF3O2/c1-15-4-5-19(27-15)14-24-12-17-6-8-23-25(17)18(13-24)9-20(26)22-11-16-3-2-7-21-10-16;3-2(4,5)1(6)7/h2-8,10,18H,9,11-14H2,1H3,(H,22,26);(H,6,7).

What are the key properties of 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?

2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 479.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).