6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C23H17Cl2N7O3S — CID 166629709

About 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166629709) has the molecular formula C23H17Cl2N7O3S and a molecular weight of 542.41 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 166629709
• Molecular Formula: C23H17Cl2N7O3S
• Molecular Weight: 542.41 g/mol
• Exact Mass: 541.05
• IUPAC Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(NCc1ncc[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
• InChI: InChI=1S/C23H17Cl2N7O3S/c24-17-2-1-3-19(21(17)25)36(34,35)32-14-6-4-13(5-7-14)18-10-15(16-11-29-31-22(16)30-18)23(33)28-12-20-26-8-9-27-20/h1-11,32H,12H2,(H,26,27)(H,28,33)(H,29,30,31)
• InChIKey: TZYFOVJKKQKBEY-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 145.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.41
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166629709) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ncc[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12.

What is the InChIKey of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is TZYFOVJKKQKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N7O3S/c24-17-2-1-3-19(21(17)25)36(34,35)32-14-6-4-13(5-7-14)18-10-15(16-11-29-31-22(16)30-18)23(33)28-12-20-26-8-9-27-20/h1-11,32H,12H2,(H,26,27)(H,28,33)(H,29,30,31).

What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 542.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166629709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).