6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C26H24F3N7O3 — CID 126740110

About 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 126740110) has the molecular formula C26H24F3N7O3 and a molecular weight of 539.52 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
• PubChem CID: 126740110
• Molecular Formula: C26H24F3N7O3
• Molecular Weight: 539.52 g/mol
• Exact Mass: 539.19
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC5(CCOC5)C4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H23N7O.C2HF3O2/c1-29-13-20(12-27-29)18-8-21(23-19(9-25)11-28-31(23)14-18)17-2-3-22(26-10-17)30-6-4-24(15-30)5-7-32-16-24;3-2(4,5)1(6)7/h2-3,8,10-14H,4-7,15-16H2,1H3;(H,6,7)
• InChIKey: AFYFFVODIFAMPB-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 121.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 126740110) is 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cn1cc(-c2cc(-c3ccc(N4CCC5(CCOC5)C4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?

The InChIKey is AFYFFVODIFAMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C2HF3O2/c1-29-13-20(12-27-29)18-8-21(23-19(9-25)11-28-31(23)14-18)17-2-3-22(26-10-17)30-6-4-24(15-30)5-7-32-16-24;3-2(4,5)1(6)7/h2-3,8,10-14H,4-7,15-16H2,1H3;(H,6,7).

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?

6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 539.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126740110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).