6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H26N6O3 — CID 146667060

About 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667060) has the molecular formula C29H26N6O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667060
• Molecular Formula: C29H26N6O3
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.21
• IUPAC Name: 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cccc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H26N6O3/c1-3-38-25-16-26(29-23(17-30)19-32-35(29)20-25)22-8-9-27(31-18-22)33-11-13-34(14-12-33)28(36)10-7-21-5-4-6-24(15-21)37-2/h4-6,8-9,15-16,18-20H,3,11-14H2,1-2H3
• InChIKey: SVPSFWDONFOKMT-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 95.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667060) is 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cccc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SVPSFWDONFOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3/c1-3-38-25-16-26(29-23(17-30)19-32-35(29)20-25)22-8-9-27(31-18-22)33-11-13-34(14-12-33)28(36)10-7-21-5-4-6-24(15-21)37-2/h4-6,8-9,15-16,18-20H,3,11-14H2,1-2H3.

What are the key properties of 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 506.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).