2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide

C70H74Cl4FN21O9S4 — CID 160785869

IUPAC2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c2cnc(NCCN3CCOCC3)nc21
InChIInChI=1S/C24H25Cl2N7O3S.C24H26FN7O3S.C22H23Cl2N7O3S2/c1-32-23-18(15-28-24(29-23)27-9-10-33-11-13-36-14-12-33)22(30-32)16-5-7-17(8-6-16)31-37(34,35)20-4-2-3-19(25)21(20)26;1-31-23-19(16-27-24(28-23)26-10-11-32-12-14-35-15-13-32)22(29-31)17-6-8-18(9-7-17)30-36(33,34)21-5-3-2-4-20(21)25;1-30-21-16(13-26-22(27-21)25-6-7-31-8-10-34-11-9-31)19(28-30)14-2-4-15(5-3-14)29-36(32,33)17-12-18(23)35-20(17)24/h2-8,15,31H,9-14H2,1H3,(H,27,28,29);2-9,16,30H,10-15H2,1H3,(H,26,27,28);2-5,12-13,29H,6-11H2,1H3,(H,25,26,27)
InChIKeySBEUQADDQXDLBL-UHFFFAOYSA-N
MW1642.58 g/mol
LogP10.54
Rot. Bonds24

About 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide

2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide (PubChem CID 160785869) has the molecular formula C70H74Cl4FN21O9S4 and a molecular weight of 1642.58 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide
PubChem CID160785869
Molecular FormulaC70H74Cl4FN21O9S4
Molecular Weight1642.58 g/mol
Exact Mass1639.36
IUPAC Name2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c2cnc(NCCN3CCOCC3)nc21
InChIInChI=1S/C24H25Cl2N7O3S.C24H26FN7O3S.C22H23Cl2N7O3S2/c1-32-23-18(15-28-24(29-23)27-9-10-33-11-13-36-14-12-33)22(30-32)16-5-7-17(8-6-16)31-37(34,35)20-4-2-3-19(25)21(20)26;1-31-23-19(16-27-24(28-23)26-10-11-32-12-14-35-15-13-32)22(29-31)17-6-8-18(9-7-17)30-36(33,34)21-5-3-2-4-20(21)25;1-30-21-16(13-26-22(27-21)25-6-7-31-8-10-34-11-9-31)19(28-30)14-2-4-15(5-3-14)29-36(32,33)17-12-18(23)35-20(17)24/h2-8,15,31H,9-14H2,1H3,(H,27,28,29);2-9,16,30H,10-15H2,1H3,(H,26,27,28);2-5,12-13,29H,6-11H2,1H3,(H,25,26,27)
InChIKeySBEUQADDQXDLBL-UHFFFAOYSA-N
XLogP10.54
TPSA342.81 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001642.58
LogP ≤ 510.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

5-chloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide;2,3-dichloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2-fluoro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157305112
5-chloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide;2,3-dichloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2-fluoro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157456495
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2,3-dichlorobenzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159196063
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-chlorobenzenesulfonamide;N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2,3-dichlorobenzenesulfonamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-4-fluoro-3-methylbenzenesulfonamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 160494256
5-chloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide;2,5-dichloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 161155497
2,5-dichloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 161608779
2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide
CID 58861811
5-chloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide
CID 58861819
5-chloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide;2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide
CID 159030414

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide (CID 160785869) is 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c2cnc(NCCN3CCOCC3)nc21.
What is the InChIKey of 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is SBEUQADDQXDLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O3S.C24H26FN7O3S.C22H23Cl2N7O3S2/c1-32-23-18(15-28-24(29-23)27-9-10-33-11-13-36-14-12-33)22(30-32)16-5-7-17(8-6-16)31-37(34,35)20-4-2-3-19(25)21(20)26;1-31-23-19(16-27-24(28-23)26-10-11-32-12-14-35-15-13-32)22(29-31)17-6-8-18(9-7-17)30-36(33,34)21-5-3-2-4-20(21)25;1-30-21-16(13-26-22(27-21)25-6-7-31-8-10-34-11-9-31)19(28-30)14-2-4-15(5-3-14)29-36(32,33)17-12-18(23)35-20(17)24/h2-8,15,31H,9-14H2,1H3,(H,27,28,29);2-9,16,30H,10-15H2,1H3,(H,26,27,28);2-5,12-13,29H,6-11H2,1H3,(H,25,26,27).
What are the key properties of 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide?
2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 1642.58 g/mol, XLogP of 10.54, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide;2,5-dichloro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide;2-fluoro-N-[4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 160785869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).