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

C23H20Cl2N6O3S — CID 157049305

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1
InChIKeyUKMBVWVIQHGQEM-OAHLLOKOSA-N
MW531.43 g/mol
LogP3.82
Rot. Bonds6

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

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 157049305) 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-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID157049305
Molecular FormulaC23H20Cl2N6O3S
Molecular Weight531.43 g/mol
Exact Mass530.07
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1
InChIKeyUKMBVWVIQHGQEM-OAHLLOKOSA-N
XLogP3.82
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.43
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[4-[2-(3,4-Dichlorophenyl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)-2~{h}-Pyrazolo[3,4-B]pyridine-4-Carboxamide
CID 122705798
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
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylazetidin-3-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166630738
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 157049305) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-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-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(N[C@@H]1CCNC1)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-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UKMBVWVIQHGQEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1.
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 531.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 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-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 157049305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).