4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C₂₇H₂₈N₁₀ — CID 126740013

About 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740013) has the molecular formula C₂₇H₂₈N₁₀ and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740013
• Molecular Formula: C₂₇H₂₈N₁₀
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.25
• IUPAC Name: 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cnn1C
• InChI: InChI=1S/C27H28N10/c1-19-23(14-31-34(19)3)17-35-6-8-36(9-7-35)26-5-4-20(12-29-26)25-10-21(24-15-30-33(2)16-24)18-37-27(25)22(11-28)13-32-37/h4-5,10,12-16,18H,6-9,17H2,1-3H3
• InChIKey: NIBKSGMVEGNIIF-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 96.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740013) is 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cnn1C.

What is the InChIKey of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NIBKSGMVEGNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10/c1-19-23(14-31-34(19)3)17-35-6-8-36(9-7-35)26-5-4-20(12-29-26)25-10-21(24-15-30-33(2)16-24)18-37-27(25)22(11-28)13-32-37/h4-5,10,12-16,18H,6-9,17H2,1-3H3.

What are the key properties of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 492.59 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126740013 — identifiers, structure, computed properties (public domain)

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