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

C24H22Cl2N6O3S — CID 166635218

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C24H22Cl2N6O3S/c1-32-10-9-16(13-32)28-24(33)17-11-20(29-23-18(17)12-27-30-23)14-5-7-15(8-6-14)31-36(34,35)21-4-2-3-19(25)22(21)26/h2-8,11-12,16,31H,9-10,13H2,1H3,(H,28,33)(H,27,29,30)
InChIKeyLGILVONNASJJBC-UHFFFAOYSA-N
MW545.45 g/mol
LogP4.17
Rot. Bonds6

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166635218) has the molecular formula C24H22Cl2N6O3S and a molecular weight of 545.45 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166635218
Molecular FormulaC24H22Cl2N6O3S
Molecular Weight545.45 g/mol
Exact Mass544.09
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C24H22Cl2N6O3S/c1-32-10-9-16(13-32)28-24(33)17-11-20(29-23-18(17)12-27-30-23)14-5-7-15(8-6-14)31-36(34,35)21-4-2-3-19(25)22(21)26/h2-8,11-12,16,31H,9-10,13H2,1H3,(H,28,33)(H,27,29,30)
InChIKeyLGILVONNASJJBC-UHFFFAOYSA-N
XLogP4.17
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166635218) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CN1CCC(NC(=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-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LGILVONNASJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O3S/c1-32-10-9-16(13-32)28-24(33)17-11-20(29-23-18(17)12-27-30-23)14-5-7-15(8-6-14)31-36(34,35)21-4-2-3-19(25)22(21)26/h2-8,11-12,16,31H,9-10,13H2,1H3,(H,28,33)(H,27,29,30).
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 545.45 g/mol, XLogP of 4.17, 6 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-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166635218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).