N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide

C21H24N8O2S — CID 164581022

IUPACN-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide
SMILESCc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccn4)cc3)nc(NCCN(C)C)c12
InChIInChI=1S/C21H24N8O2S/c1-14-18-20(23-12-13-29(2)3)24-19(25-21(18)27-26-14)15-7-9-16(10-8-15)28-32(30,31)17-6-4-5-11-22-17/h4-11,28H,12-13H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyKLPXLECOAXIKCG-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.50
Rot. Bonds8

About N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide

N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide (PubChem CID 164581022) has the molecular formula C21H24N8O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide
PubChem CID164581022
Molecular FormulaC21H24N8O2S
Molecular Weight452.54 g/mol
Exact Mass452.17
IUPAC NameN-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide
SMILESCc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccn4)cc3)nc(NCCN(C)C)c12
InChIInChI=1S/C21H24N8O2S/c1-14-18-20(23-12-13-29(2)3)24-19(25-21(18)27-26-14)15-7-9-16(10-8-15)28-32(30,31)17-6-4-5-11-22-17/h4-11,28H,12-13H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyKLPXLECOAXIKCG-UHFFFAOYSA-N
XLogP2.50
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-[3-methyl-6-[4-(pyrimidin-2-ylsulfanylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 170724938
N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 170721849
5-chloro-N-[4-[4-[[3-(dimethylamino)-2,2-difluoropropyl]amino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-fluorobenzenesulfonamide
CID 164581066
N-[2-chloro-4-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-4-methoxypyridine-2-sulfonamide
CID 164581105
5-chloro-N-[4-[4-[3-(dimethylamino)propoxy]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-fluorobenzenesulfonamide
CID 164580925
5-chloro-N-[4-[4-[2-(dimethylamino)ethyl-methylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-fluorobenzenesulfonamide
CID 164580783
N-[2-fluoro-4-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-4-propan-2-yloxypyridine-2-sulfonamide
CID 164581003
5-chloro-N-[5-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrazin-2-yl]-2-fluorobenzenesulfonamide
CID 164580854
2-[2-[[6-[4-[(4-methoxy-2-pyridinyl)sulfanylamino]phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl-methylamino]ethanol
CID 170724965
5-chloro-2-fluoro-N-[2-fluoro-4-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 164581043
3-[[6-[4-[(5-chloro-2-fluorophenyl)sulfonylamino]phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-N,N-dimethylpropanamide
CID 166626705
N-[4-[4-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-4-methylpyridine-2-sulfonamide
CID 164580892

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide?
The IUPAC name of N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide (CID 164581022) is N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide is Cc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccn4)cc3)nc(NCCN(C)C)c12.
What is the InChIKey of N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide?
The InChIKey is KLPXLECOAXIKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2S/c1-14-18-20(23-12-13-29(2)3)24-19(25-21(18)27-26-14)15-7-9-16(10-8-15)28-32(30,31)17-6-4-5-11-22-17/h4-11,28H,12-13H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide?
N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(dimethylamino)ethylamino]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 164581022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).