N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide

C30H32N6O3 — CID 134496758

About N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 134496758) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide
• PubChem CID: 134496758
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)Cc4ccccc4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H32N6O3/c1-29(2,38)20-39-24-14-25(28-23(15-31)17-33-36(28)18-24)22-9-10-26(32-16-22)35-12-11-30(3,19-35)34-27(37)13-21-7-5-4-6-8-21/h4-10,14,16-18,38H,11-13,19-20H2,1-3H3,(H,34,37)
• InChIKey: LGKGIZCXQCVIIS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 115.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide?

The IUPAC name of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide (CID 134496758) is N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide.

What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide?

The canonical SMILES for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C)(NC(=O)Cc4ccccc4)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide?

The InChIKey is LGKGIZCXQCVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-29(2,38)20-39-24-14-25(28-23(15-31)17-33-36(28)18-24)22-9-10-26(32-16-22)35-12-11-30(3,19-35)34-27(37)13-21-7-5-4-6-8-21/h4-10,14,16-18,38H,11-13,19-20H2,1-3H3,(H,34,37).

What are the key properties of N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide?

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 524.63 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 134496758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).