4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H21N7O — CID 134436930

About 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436930) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436930
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(OCc3cccnc3)cc(-c3ccc(N4CCNCC4)nc3)c12
• InChI: InChI=1S/C23H21N7O/c24-11-19-14-28-30-15-20(31-16-17-2-1-5-26-12-17)10-21(23(19)30)18-3-4-22(27-13-18)29-8-6-25-7-9-29/h1-5,10,12-15,25H,6-9,16H2
• InChIKey: ZIXVAKGVSNSWKE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 91.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436930) is 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCc3cccnc3)cc(-c3ccc(N4CCNCC4)nc3)c12.

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

The InChIKey is ZIXVAKGVSNSWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c24-11-19-14-28-30-15-20(31-16-17-2-1-5-26-12-17)10-21(23(19)30)18-3-4-22(27-13-18)29-8-6-25-7-9-29/h1-5,10,12-15,25H,6-9,16H2.

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

4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).