1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one

C25H28N6O — CID 172585301

About 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one

1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 172585301) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
• PubChem CID: 172585301
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
• SMILES: CC(CC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1
• InChI: InChI=1S/C25H28N6O/c1-19(20-6-4-3-5-7-20)14-25(32)30-12-10-29(11-13-30)24-16-27-31-18-21(8-9-23(24)31)22-15-26-28(2)17-22/h3-9,15-19H,10-14H2,1-2H3
• InChIKey: IDQFRXFNEIZUSD-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 58.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one (CID 172585301) is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one.

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

The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1.

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

The InChIKey is IDQFRXFNEIZUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-19(20-6-4-3-5-7-20)14-25(32)30-12-10-29(11-13-30)24-16-27-31-18-21(8-9-23(24)31)22-15-26-28(2)17-22/h3-9,15-19H,10-14H2,1-2H3.

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

1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 428.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 172585301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).