3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

C49H50BBrN8O6 — CID 158913097

About 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 158913097) has the molecular formula C49H50BBrN8O6 and a molecular weight of 937.70 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 158913097
• Molecular Formula: C49H50BBrN8O6
• Molecular Weight: 937.70 g/mol
• Exact Mass: 936.31
• IUPAC Name: 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: C.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(C)cc4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.Cc1ccc(N(C)C(=O)c2ccn3ncc(Br)c3c2)cc1
• InChI: InChI=1S/C24H22N4O2.C16H14BrN3O.C8H10BNO3.CH4/c1-16-4-10-20(11-5-16)27(3)24(30)19-12-13-28-22(14-19)21(15-26-28)17-6-8-18(9-7-17)23(29)25-2;1-11-3-5-13(6-4-11)19(2)16(21)12-7-8-20-15(9-12)14(17)10-18-20;1-10-8(11)6-2-4-7(5-3-6)9(12)13;/h4-15H,1-3H3,(H,25,29);3-10H,1-2H3;2-5,12-13H,1H3,(H,10,11);1H4
• InChIKey: JGWXRSIFGRMMFE-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 173.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.70
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 158913097) is 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is C.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(C)cc4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.Cc1ccc(N(C)C(=O)c2ccn3ncc(Br)c3c2)cc1.

What is the InChIKey of 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is JGWXRSIFGRMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2.C16H14BrN3O.C8H10BNO3.CH4/c1-16-4-10-20(11-5-16)27(3)24(30)19-12-13-28-22(14-19)21(15-26-28)17-6-8-18(9-7-17)23(29)25-2;1-11-3-5-13(6-4-11)19(2)16(21)12-7-8-20-15(9-12)14(17)10-18-20;1-10-8(11)6-2-4-7(5-3-6)9(12)13;/h4-15H,1-3H3,(H,25,29);3-10H,1-2H3;2-5,12-13H,1H3,(H,10,11);1H4.

What are the key properties of 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 937.70 g/mol, XLogP of 6.99, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane;[4-(methylcarbamoyl)phenyl]boronic acid;N-methyl-3-[4-(methylcarbamoyl)phenyl]-N-(4-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 158913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).