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

C22H19Cl2N5O4S — CID 166628311

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C22H19Cl2N5O4S/c1-29(9-10-30)22(31)15-11-18(26-21-16(15)12-25-27-21)13-5-7-14(8-6-13)28-34(32,33)19-4-2-3-17(23)20(19)24/h2-8,11-12,28,30H,9-10H2,1H3,(H,25,26,27)
InChIKeyOQIGGAOLXBWEBA-UHFFFAOYSA-N
MW520.40 g/mol
LogP3.80
Rot. Bonds7

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166628311) has the molecular formula C22H19Cl2N5O4S and a molecular weight of 520.40 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166628311
Molecular FormulaC22H19Cl2N5O4S
Molecular Weight520.40 g/mol
Exact Mass519.05
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C22H19Cl2N5O4S/c1-29(9-10-30)22(31)15-11-18(26-21-16(15)12-25-27-21)13-5-7-14(8-6-13)28-34(32,33)19-4-2-3-17(23)20(19)24/h2-8,11-12,28,30H,9-10H2,1H3,(H,25,26,27)
InChIKeyOQIGGAOLXBWEBA-UHFFFAOYSA-N
XLogP3.80
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.40
LogP ≤ 53.80
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-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166628311) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CN(CCO)C(=O)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-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OQIGGAOLXBWEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O4S/c1-29(9-10-30)22(31)15-11-18(26-21-16(15)12-25-27-21)13-5-7-14(8-6-13)28-34(32,33)19-4-2-3-17(23)20(19)24/h2-8,11-12,28,30H,9-10H2,1H3,(H,25,26,27).
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 520.40 g/mol, XLogP of 3.80, 7 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-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166628311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).