6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H25N7 — CID 162371999

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162371999) has the molecular formula C30H25N7 and a molecular weight of 483.58 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162371999
• Molecular Formula: C30H25N7
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.22
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC(C#Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C30H25N7/c1-35-20-27(19-33-35)25-15-28(30-26(16-31)18-34-37(30)21-25)24-9-10-29(32-17-24)36-13-11-23(12-14-36)8-7-22-5-3-2-4-6-22/h2-6,9-10,15,17-21,23H,11-14H2,1H3
• InChIKey: DUCATIHORCNLRB-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 75.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	4.94
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-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162371999) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(C#Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is DUCATIHORCNLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7/c1-35-20-27(19-33-35)25-15-28(30-26(16-31)18-34-37(30)21-25)24-9-10-29(32-17-24)36-13-11-23(12-14-36)8-7-22-5-3-2-4-6-22/h2-6,9-10,15,17-21,23H,11-14H2,1H3.

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 483.58 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162371999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).