4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C₂₄H₂₄N₈ — CID 126740161

About 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740161) has the molecular formula C₂₄H₂₄N₈ and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740161
• Molecular Formula: C₂₄H₂₄N₈
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.21
• IUPAC Name: 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC5(CCNC5)C4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C24H24N8/c1-30-13-20(12-28-30)18-8-21(23-19(9-25)11-29-32(23)14-18)17-2-3-22(27-10-17)31-7-5-24(16-31)4-6-26-15-24/h2-3,8,10-14,26H,4-7,15-16H2,1H3
• InChIKey: DKXPOHIHJHYGQF-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 87.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740161) is 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC5(CCNC5)C4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is DKXPOHIHJHYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-30-13-20(12-28-30)18-8-21(23-19(9-25)11-29-32(23)14-18)17-2-3-22(27-10-17)31-7-5-24(16-31)4-6-26-15-24/h2-3,8,10-14,26H,4-7,15-16H2,1H3.

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

4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 424.51 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126740161 — identifiers, structure, computed properties (public domain)

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