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

C23H16Cl2N6O4S — CID 166628325

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166628325) has the molecular formula C23H16Cl2N6O4S and a molecular weight of 543.39 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 166628325
• Molecular Formula: C23H16Cl2N6O4S
• Molecular Weight: 543.39 g/mol
• Exact Mass: 542.03
• IUPAC Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(NCc1cocn1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
• InChI: InChI=1S/C23H16Cl2N6O4S/c24-18-2-1-3-20(21(18)25)36(33,34)31-14-6-4-13(5-7-14)19-8-16(17-10-28-30-22(17)29-19)23(32)26-9-15-11-35-12-27-15/h1-8,10-12,31H,9H2,(H,26,32)(H,28,29,30)
• InChIKey: ZBMSSDJMQJGNNI-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 142.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.39
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166628325) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1cocn1)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-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZBMSSDJMQJGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O4S/c24-18-2-1-3-20(21(18)25)36(33,34)31-14-6-4-13(5-7-14)19-8-16(17-10-28-30-22(17)29-19)23(32)26-9-15-11-35-12-27-15/h1-8,10-12,31H,9H2,(H,26,32)(H,28,29,30).

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 543.39 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166628325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).