6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H28N6O2 — CID 146667309

About 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667309) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667309
• Molecular Formula: C30H28N6O2
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.23
• IUPAC Name: 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCN(C(=O)CCC#Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H28N6O2/c1-2-38-26-18-27(30-25(19-31)21-33-36(30)22-26)24-12-13-28(32-20-24)34-14-16-35(17-15-34)29(37)11-7-6-10-23-8-4-3-5-9-23/h3-5,8-9,12-13,18,20-22H,2,7,11,14-17H2,1H3
• InChIKey: HGIGAJUSGPMEAU-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 86.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667309) is 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCN(C(=O)CCC#Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is HGIGAJUSGPMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-2-38-26-18-27(30-25(19-31)21-33-36(30)22-26)24-12-13-28(32-20-24)34-14-16-35(17-15-34)29(37)11-7-6-10-23-8-4-3-5-9-23/h3-5,8-9,12-13,18,20-22H,2,7,11,14-17H2,1H3.

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

6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 504.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).