4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H25N9 — CID 164755003

About 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164755003) has the molecular formula C32H25N9 and a molecular weight of 535.62 g/mol. Its IUPAC name is 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164755003
• Molecular Formula: C32H25N9
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.22
• IUPAC Name: 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(C#CCN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)nc1
• InChI: InChI=1S/C32H25N9/c1-3-22-6-8-27(34-14-22)5-4-10-40-28-12-29(40)21-39(20-28)31-9-7-23(15-35-31)30-11-24(26-17-36-38(2)18-26)19-41-32(30)25(13-33)16-37-41/h1,6-9,11,14-19,28-29H,10,12,20-21H2,2H3
• InChIKey: ODDLAXCBCODPDM-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 91.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164755003) is 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1ccc(C#CCN2C3CC2CN(c2ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn2)C3)nc1.

What is the InChIKey of 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ODDLAXCBCODPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N9/c1-3-22-6-8-27(34-14-22)5-4-10-40-28-12-29(40)21-39(20-28)31-9-7-23(15-35-31)30-11-24(26-17-36-38(2)18-26)19-41-32(30)25(13-33)16-37-41/h1,6-9,11,14-19,28-29H,10,12,20-21H2,2H3.

What are the key properties of 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 535.62 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-[3-(5-ethynyl-2-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164755003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).