4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile

C24H23N7O — CID 172585194

About 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile

4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile (PubChem CID 172585194) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
• PubChem CID: 172585194
• Molecular Formula: C24H23N7O
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.20
• IUPAC Name: 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
• SMILES: Cn1cc(-c2ccc3c(N4CCN(C(=O)Cc5ccc(C#N)cc5)CC4)cnn3c2)cn1
• InChI: InChI=1S/C24H23N7O/c1-28-16-21(14-26-28)20-6-7-22-23(15-27-31(22)17-20)29-8-10-30(11-9-29)24(32)12-18-2-4-19(13-25)5-3-18/h2-7,14-17H,8-12H2,1H3
• InChIKey: HXMHUCDMCWFAIB-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 82.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile?

The IUPAC name of 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile (CID 172585194) is 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile.

What is the SMILES notation for 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile?

The canonical SMILES for 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile is Cn1cc(-c2ccc3c(N4CCN(C(=O)Cc5ccc(C#N)cc5)CC4)cnn3c2)cn1.

What is the InChIKey of 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile?

The InChIKey is HXMHUCDMCWFAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-28-16-21(14-26-28)20-6-7-22-23(15-27-31(22)17-20)29-8-10-30(11-9-29)24(32)12-18-2-4-19(13-25)5-3-18/h2-7,14-17H,8-12H2,1H3.

What are the key properties of 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile?

4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile has a molecular weight of 425.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile is sourced from PubChem (CID 172585194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).