6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

C₂₀H₂₁Cl₂N₉ — CID 135150240

About 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 135150240) has the molecular formula C₂₀H₂₁Cl₂N₉ and a molecular weight of 458.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
• PubChem CID: 135150240
• Molecular Formula: C₂₀H₂₁Cl₂N₉
• Molecular Weight: 458.36 g/mol
• Exact Mass: 457.13
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
• SMILES: Cl.Cl.Cn1cc(-c2cc(-c3cnc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C20H19N9.2ClH/c1-27-12-17(11-25-27)14-6-18(19-15(7-21)10-26-29(19)13-14)16-8-23-20(24-9-16)28-4-2-22-3-5-28;;/h6,8-13,22H,2-5H2,1H3;2*1H
• InChIKey: RDFTXKOXSFLUGX-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 99.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.36
LogP ≤ 5	2.32
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-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 135150240) is 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is Cl.Cl.Cn1cc(-c2cc(-c3cnc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?

The InChIKey is RDFTXKOXSFLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9.2ClH/c1-27-12-17(11-25-27)14-6-18(19-15(7-21)10-26-29(19)13-14)16-8-23-20(24-9-16)28-4-2-22-3-5-28;;/h6,8-13,22H,2-5H2,1H3;2*1H.

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?

6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 458.36 g/mol, XLogP of 2.32, 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-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 135150240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135150240 — identifiers, structure, computed properties (public domain)

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