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

C21H18Cl2N6O3S — CID 166625906

IUPACN-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C21H18Cl2N6O3S/c22-16-2-1-3-18(19(16)23)33(31,32)29-13-6-4-12(5-7-13)17-10-14(21(30)25-9-8-24)15-11-26-28-20(15)27-17/h1-7,10-11,29H,8-9,24H2,(H,25,30)(H,26,27,28)
InChIKeyXPRFOBRHUXXIHQ-UHFFFAOYSA-N
MW505.39 g/mol
LogP3.42
Rot. Bonds7

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

N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166625906) has the molecular formula C21H18Cl2N6O3S and a molecular weight of 505.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166625906
Molecular FormulaC21H18Cl2N6O3S
Molecular Weight505.39 g/mol
Exact Mass504.05
IUPAC NameN-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C21H18Cl2N6O3S/c22-16-2-1-3-18(19(16)23)33(31,32)29-13-6-4-12(5-7-13)17-10-14(21(30)25-9-8-24)15-11-26-28-20(15)27-17/h1-7,10-11,29H,8-9,24H2,(H,25,30)(H,26,27,28)
InChIKeyXPRFOBRHUXXIHQ-UHFFFAOYSA-N
XLogP3.42
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.39
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Sgk1-IN-3
CID 157049305
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
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 N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166625906) is N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is NCCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12.
What is the InChIKey of N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XPRFOBRHUXXIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O3S/c22-16-2-1-3-18(19(16)23)33(31,32)29-13-6-4-12(5-7-13)17-10-14(21(30)25-9-8-24)15-11-26-28-20(15)27-17/h1-7,10-11,29H,8-9,24H2,(H,25,30)(H,26,27,28).
What are the key properties of N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 505.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166625906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).