7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

C24H26N6O4 — CID 163211608

About 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (PubChem CID 163211608) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

Molecular Properties

• Compound Name: 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
• PubChem CID: 163211608
• Molecular Formula: C24H26N6O4
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.20
• IUPAC Name: 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CCN(C(=O)O)C4(CC4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C24H26N6O4/c1-23(2,33)15-34-18-9-19(21-17(10-25)12-27-30(21)13-18)16-3-4-20(26-11-16)28-7-8-29(22(31)32)24(14-28)5-6-24/h3-4,9,11-13,33H,5-8,14-15H2,1-2H3,(H,31,32)
• InChIKey: PLENDHNNVPIDHX-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 127.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The IUPAC name of 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (CID 163211608) is 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

What is the SMILES notation for 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The canonical SMILES for 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is CC(C)(O)COc1cc(-c2ccc(N3CCN(C(=O)O)C4(CC4)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The InChIKey is PLENDHNNVPIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-23(2,33)15-34-18-9-19(21-17(10-25)12-27-30(21)13-18)16-3-4-20(26-11-16)28-7-8-29(22(31)32)24(14-28)5-6-24/h3-4,9,11-13,33H,5-8,14-15H2,1-2H3,(H,31,32).

What are the key properties of 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid has a molecular weight of 462.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is sourced from PubChem (CID 163211608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).