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

C23H20Cl2N6O3S — CID 166630738

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C23H20Cl2N6O3S/c1-31-11-15(12-31)27-23(32)16-9-19(28-22-17(16)10-26-29-22)13-5-7-14(8-6-13)30-35(33,34)20-4-2-3-18(24)21(20)25/h2-10,15,30H,11-12H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyHFRQUFJHKWHKIK-UHFFFAOYSA-N
MW531.43 g/mol
LogP3.78
Rot. Bonds6

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166630738) has the molecular formula C23H20Cl2N6O3S and a molecular weight of 531.43 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166630738
Molecular FormulaC23H20Cl2N6O3S
Molecular Weight531.43 g/mol
Exact Mass530.07
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)nc3[nH]ncc23)C1
InChIInChI=1S/C23H20Cl2N6O3S/c1-31-11-15(12-31)27-23(32)16-9-19(28-22-17(16)10-26-29-22)13-5-7-14(8-6-13)30-35(33,34)20-4-2-3-18(24)21(20)25/h2-10,15,30H,11-12H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyHFRQUFJHKWHKIK-UHFFFAOYSA-N
XLogP3.78
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.43
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Sgk1-IN-3
CID 157049305
N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166625906
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166626639
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166626715
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(2-hydroxyethyl)-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166628311
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1,3-oxazol-4-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166628325
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-imidazol-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166629709
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166632905
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166632995
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166633394
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrrolidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635218
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16005246

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166630738) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-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-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CN1CC(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-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HFRQUFJHKWHKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O3S/c1-31-11-15(12-31)27-23(32)16-9-19(28-22-17(16)10-26-29-22)13-5-7-14(8-6-13)30-35(33,34)20-4-2-3-18(24)21(20)25/h2-10,15,30H,11-12H2,1H3,(H,27,32)(H,26,28,29).
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 531.43 g/mol, XLogP of 3.78, 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-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166630738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).