N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H25N5O2 — CID 60531850

About N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60531850) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 60531850
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C26H25N5O2/c1-18(2)31-25-23(17-28-31)22(16-24(30-25)19-9-4-3-5-10-19)26(32)29-20-11-8-12-21(15-20)33-14-7-6-13-27/h3-5,8-12,15-18H,6-7,14H2,1-2H3,(H,29,32)
• InChIKey: YXSZSRIUPHJFJR-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60531850) is N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3cccc(OCCCC#N)c3)cc(-c3ccccc3)nc21.

What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YXSZSRIUPHJFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18(2)31-25-23(17-28-31)22(16-24(30-25)19-9-4-3-5-10-19)26(32)29-20-11-8-12-21(15-20)33-14-7-6-13-27/h3-5,8-12,15-18H,6-7,14H2,1-2H3,(H,29,32).

What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyanopropoxy)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60531850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).