6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28N8O — CID 146660508

About 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660508) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146660508
• Molecular Formula: C27H28N8O
• Molecular Weight: 480.58 g/mol
• Exact Mass: 480.24
• IUPAC Name: 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=CC(C)C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4C)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C27H28N8O/c1-5-18(2)27(36)34-10-8-33(9-11-34)25-7-6-20(14-29-25)23-12-21(24-16-30-32(4)19(24)3)17-35-26(23)22(13-28)15-31-35/h5-7,12,14-18H,1,8-11H2,2-4H3
• InChIKey: BIHQBLPBSDFHST-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 95.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660508) is 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(C)C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4C)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BIHQBLPBSDFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c1-5-18(2)27(36)34-10-8-33(9-11-34)25-7-6-20(14-29-25)23-12-21(24-16-30-32(4)19(24)3)17-35-26(23)22(13-28)15-31-35/h5-7,12,14-18H,1,8-11H2,2-4H3.

What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 480.58 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).