6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H22N6O3 — CID 134435407

About 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435407) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435407
• Molecular Formula: C24H22N6O3
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.18
• IUPAC Name: 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COCCOc1cc(-c2ccc(N3CC(Oc4ccccn4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C24H22N6O3/c1-31-8-9-32-19-10-21(24-18(11-25)13-28-30(24)16-19)17-5-6-22(27-12-17)29-14-20(15-29)33-23-4-2-3-7-26-23/h2-7,10,12-13,16,20H,8-9,14-15H2,1H3
• InChIKey: YTOUUTGSGJKBQD-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 97.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435407) is 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COCCOc1cc(-c2ccc(N3CC(Oc4ccccn4)C3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is YTOUUTGSGJKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-31-8-9-32-19-10-21(24-18(11-25)13-28-30(24)16-19)17-5-6-22(27-12-17)29-14-20(15-29)33-23-4-2-3-7-26-23/h2-7,10,12-13,16,20H,8-9,14-15H2,1H3.

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

6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 442.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).