1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide

C23H26N6O4 — CID 162752687

About 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide

1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide (PubChem CID 162752687) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide
• PubChem CID: 162752687
• Molecular Formula: C23H26N6O4
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.20
• IUPAC Name: 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)C2CN(c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)C2)cn1
• InChI: InChI=1S/C23H26N6O4/c1-23(2,31)14-33-18-6-19(21-16(7-24)10-27-29(21)13-18)28-11-17(12-28)22(30)26-9-15-4-5-20(32-3)25-8-15/h4-6,8,10,13,17,31H,9,11-12,14H2,1-3H3,(H,26,30)
• InChIKey: CFVVFPRYLAZAQJ-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 125.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide (CID 162752687) is 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide.

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

The canonical SMILES for 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide is COc1ccc(CNC(=O)C2CN(c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)C2)cn1.

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

The InChIKey is CFVVFPRYLAZAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-23(2,31)14-33-18-6-19(21-16(7-24)10-27-29(21)13-18)28-11-17(12-28)22(30)26-9-15-4-5-20(32-3)25-8-15/h4-6,8,10,13,17,31H,9,11-12,14H2,1-3H3,(H,26,30).

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

1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 162752687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).