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

C26H26Cl2N6O3S — CID 166632995

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166632995) has the molecular formula C26H26Cl2N6O3S and a molecular weight of 573.51 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 166632995
• Molecular Formula: C26H26Cl2N6O3S
• Molecular Weight: 573.51 g/mol
• Exact Mass: 572.12
• IUPAC Name: 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCN1CCC(CNC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1
• InChI: InChI=1S/C26H26Cl2N6O3S/c1-2-34-11-10-16(15-34)13-29-26(35)19-12-22(31-25-20(19)14-30-32-25)17-6-8-18(9-7-17)33-38(36,37)23-5-3-4-21(27)24(23)28/h3-9,12,14,16,33H,2,10-11,13,15H2,1H3,(H,29,35)(H,30,31,32)
• InChIKey: CYRGTVQWOVBNGK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166632995) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CCN1CCC(CNC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1.

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

The InChIKey is CYRGTVQWOVBNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O3S/c1-2-34-11-10-16(15-34)13-29-26(35)19-12-22(31-25-20(19)14-30-32-25)17-6-8-18(9-7-17)33-38(36,37)23-5-3-4-21(27)24(23)28/h3-9,12,14,16,33H,2,10-11,13,15H2,1H3,(H,29,35)(H,30,31,32).

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 573.51 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 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-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166632995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).