1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H34N4O3 — CID 55801155

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

1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55801155) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55801155
• Molecular Formula: C25H34N4O3
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.26
• IUPAC Name: 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COCCOc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1
• InChI: InChI=1S/C25H34N4O3/c1-16(2)21-14-20(22-17(3)28-29(23(22)27-21)25(4,5)6)24(30)26-15-18-9-8-10-19(13-18)32-12-11-31-7/h8-10,13-14,16H,11-12,15H2,1-7H3,(H,26,30)
• InChIKey: OJUXXUOPZMQWMX-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	4.57
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 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55801155) is 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCCOc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1.

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

The InChIKey is OJUXXUOPZMQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-16(2)21-14-20(22-17(3)28-29(23(22)27-21)25(4,5)6)24(30)26-15-18-9-8-10-19(13-18)32-12-11-31-7/h8-10,13-14,16H,11-12,15H2,1-7H3,(H,26,30).

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

1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55801155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).