6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O2 — CID 9394148

About 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9394148) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 9394148
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1
• InChI: InChI=1S/C22H26N4O2/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-7-8-16)22(27)23-9-10-28-17-6-4-5-15(3)11-17/h4-6,11-14,16H,7-10H2,1-3H3,(H,23,27)
• InChIKey: CRNSFRADLAOWDX-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9394148) is 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cccc(OCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1.

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

The InChIKey is CRNSFRADLAOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)26-21-19(13-24-26)18(12-20(25-21)16-7-8-16)22(27)23-9-10-28-17-6-4-5-15(3)11-17/h4-6,11-14,16H,7-10H2,1-3H3,(H,23,27).

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

6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).