6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C23H22BrN5O2 — CID 123667074

About 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 123667074) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 123667074
• Molecular Formula: C23H22BrN5O2
• Molecular Weight: 480.37 g/mol
• Exact Mass: 479.10
• IUPAC Name: 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C)c(CN(C(=O)c2cc(Br)nc3[nH]ncc23)C(C)c2ccccc2)c(=O)[nH]1
• InChI: InChI=1S/C23H22BrN5O2/c1-13-9-14(2)26-22(30)19(13)12-29(15(3)16-7-5-4-6-8-16)23(31)17-10-20(24)27-21-18(17)11-25-28-21/h4-11,15H,12H2,1-3H3,(H,26,30)(H,25,27,28)
• InChIKey: XSBRHMLBECCLTC-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.37
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 123667074) is 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(Br)nc3[nH]ncc23)C(C)c2ccccc2)c(=O)[nH]1.

What is the InChIKey of 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XSBRHMLBECCLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-13-9-14(2)26-22(30)19(13)12-29(15(3)16-7-5-4-6-8-16)23(31)17-10-20(24)27-21-18(17)11-25-28-21/h4-11,15H,12H2,1-3H3,(H,26,30)(H,25,27,28).

What are the key properties of 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(1-phenylethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 123667074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).