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

C25H24Cl2N6O4S — CID 166633394

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(CCO)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C25H24Cl2N6O4S/c26-20-2-1-3-22(23(20)27)38(36,37)32-16-6-4-15(5-7-16)21-12-18(19-13-28-31-24(19)30-21)25(35)29-17-8-9-33(14-17)10-11-34/h1-7,12-13,17,32,34H,8-11,14H2,(H,29,35)(H,28,30,31)
InChIKeyKBTZEJHKXDQMGS-UHFFFAOYSA-N
MW575.48 g/mol
LogP3.53
Rot. Bonds8

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166633394) has the molecular formula C25H24Cl2N6O4S and a molecular weight of 575.48 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166633394
Molecular FormulaC25H24Cl2N6O4S
Molecular Weight575.48 g/mol
Exact Mass574.10
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(CCO)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C25H24Cl2N6O4S/c26-20-2-1-3-22(23(20)27)38(36,37)32-16-6-4-15(5-7-16)21-12-18(19-13-28-31-24(19)30-21)25(35)29-17-8-9-33(14-17)10-11-34/h1-7,12-13,17,32,34H,8-11,14H2,(H,29,35)(H,28,30,31)
InChIKeyKBTZEJHKXDQMGS-UHFFFAOYSA-N
XLogP3.53
TPSA140.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.48
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166633394) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-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-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NC1CCN(CCO)C1)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-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KBTZEJHKXDQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O4S/c26-20-2-1-3-22(23(20)27)38(36,37)32-16-6-4-15(5-7-16)21-12-18(19-13-28-31-24(19)30-21)25(35)29-17-8-9-33(14-17)10-11-34/h1-7,12-13,17,32,34H,8-11,14H2,(H,29,35)(H,28,30,31).
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 575.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 4 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-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166633394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).