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

C92H98Cl5FN28O12S6 — CID 159030414

IUPAC5-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
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)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.C22H24ClN7O3S2/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;1-29-21-17(14-25-22(26-21)24-8-9-30-10-12-33-13-11-30)20(27-29)15-2-4-16(5-3-15)28-35(31,32)19-7-6-18(23)34-19/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);2-7,14,28H,8-13H2,1H3,(H,24,25,26)
InChIKeyJUUVMMNJHSRZAN-UHFFFAOYSA-N
MW2176.64 g/mol
LogP13.83
Rot. Bonds32

About 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

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 (PubChem CID 159030414) has the molecular formula C92H98Cl5FN28O12S6 and a molecular weight of 2176.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159030414
Molecular FormulaC92H98Cl5FN28O12S6
Molecular Weight2176.64 g/mol
Exact Mass2172.47
IUPAC Name5-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
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)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.C22H24ClN7O3S2/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;1-29-21-17(14-25-22(26-21)24-8-9-30-10-12-33-13-11-30)20(27-29)15-2-4-16(5-3-15)28-35(31,32)19-7-6-18(23)34-19/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);2-7,14,28H,8-13H2,1H3,(H,24,25,26)
InChIKeyJUUVMMNJHSRZAN-UHFFFAOYSA-N
XLogP13.83
TPSA457.08 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.64
LogP ≤ 513.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)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 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?
The InChIKey is JUUVMMNJHSRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O3S.C24H26FN7O3S.C22H23Cl2N7O3S2.C22H24ClN7O3S2/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;1-29-21-17(14-25-22(26-21)24-8-9-30-10-12-33-13-11-30)20(27-29)15-2-4-16(5-3-15)28-35(31,32)19-7-6-18(23)34-19/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);2-7,14,28H,8-13H2,1H3,(H,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 2176.64 g/mol, XLogP of 13.83, 32 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159030414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).