6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H29N5O2 — CID 146667089

About 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667089) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667089
• Molecular Formula: C30H29N5O2
• Molecular Weight: 491.60 g/mol
• Exact Mass: 491.23
• IUPAC Name: 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(OCCC#Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H29N5O2/c1-2-36-27-18-28(30-25(19-31)21-33-35(30)22-27)24-11-12-29(32-20-24)34-15-13-26(14-16-34)37-17-7-6-10-23-8-4-3-5-9-23/h3-5,8-9,11-12,18,20-22,26H,2,7,13-17H2,1H3
• InChIKey: QXOQOWREMTWWCE-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 75.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.60
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667089) is 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(OCCC#Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is QXOQOWREMTWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-2-36-27-18-28(30-25(19-31)21-33-35(30)22-27)24-11-12-29(32-20-24)34-15-13-26(14-16-34)37-17-7-6-10-23-8-4-3-5-9-23/h3-5,8-9,11-12,18,20-22,26H,2,7,13-17H2,1H3.

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

6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 491.60 g/mol, XLogP of 5.09, 7 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-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).