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

C26H26N8O2 — CID 146667123

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

6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667123) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667123
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=C(C)C(=O)N1CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C26H26N8O2/c1-19(2)26(35)33-9-7-32(8-10-33)24-4-3-20(15-29-24)23-13-22(36-12-11-31-6-5-28-18-31)17-34-25(23)21(14-27)16-30-34/h3-6,13,15-18H,1,7-12H2,2H3
• InChIKey: BRUMYYYPUKGPAL-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 104.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667123) is 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(C)C(=O)N1CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is BRUMYYYPUKGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-19(2)26(35)33-9-7-32(8-10-33)24-4-3-20(15-29-24)23-13-22(36-12-11-31-6-5-28-18-31)17-34-25(23)21(14-27)16-30-34/h3-6,13,15-18H,1,7-12H2,2H3.

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

6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 482.55 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-imidazol-1-ylethoxy)-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).