4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid

C23H22F3N9O2 — CID 135242331

About 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid

4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 135242331) has the molecular formula C23H22F3N9O2 and a molecular weight of 513.48 g/mol. Its IUPAC name is 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 135242331
• Molecular Formula: C23H22F3N9O2
• Molecular Weight: 513.48 g/mol
• Exact Mass: 513.18
• IUPAC Name: 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](N)C4)nc3)n2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H21N9.C2HF3O2/c1-28-11-16(10-25-28)18-13-30-21(15(7-22)9-26-30)20(27-18)14-4-5-19(24-8-14)29-6-2-3-17(23)12-29;3-2(4,5)1(6)7/h4-5,8-11,13,17H,2-3,6,12,23H2,1H3;(H,6,7)/t17-;/m1./s1
• InChIKey: PIVHJWBWPGTYOA-UNTBIKODSA-N
• XLogP: 2.62
• TPSA: 151.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.48
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 135242331) is 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCC[C@@H](N)C4)nc3)n2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is PIVHJWBWPGTYOA-UNTBIKODSA-N. The full InChI is InChI=1S/C21H21N9.C2HF3O2/c1-28-11-16(10-25-28)18-13-30-21(15(7-22)9-26-30)20(27-18)14-4-5-19(24-8-14)29-6-2-3-17(23)12-29;3-2(4,5)1(6)7/h4-5,8-11,13,17H,2-3,6,12,23H2,1H3;(H,6,7)/t17-;/m1./s1.

What are the key properties of 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid?

4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 513.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135242331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).