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

C97H102Cl3F9N28O12S6 — CID 161155497

IUPAC5-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
SMILESCc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl.Cc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1ccc(Cl)s1.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(C(F)(F)F)c2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c2cnc(NCCN3CCOCC3)nc21
InChIInChI=1S/C26H25F6N7O3S.C25H26F3N7O3S.C23H25Cl2N7O3S2.C23H26ClN7O3S2/c1-38-23-19(15-34-24(35-23)33-7-8-39-9-11-42-12-10-39)22(36-38)16-5-6-21(20(13-16)26(30,31)32)37-43(40,41)18-4-2-3-17(14-18)25(27,28)29;1-34-23-21(16-30-24(31-23)29-9-10-35-11-13-38-14-12-35)22(32-34)17-5-7-19(8-6-17)33-39(36,37)20-4-2-3-18(15-20)25(26,27)28;1-14-11-15(3-4-17(14)30-37(33,34)18-12-19(24)36-21(18)25)20-16-13-27-23(28-22(16)31(2)29-20)26-5-6-32-7-9-35-10-8-32;1-15-13-16(3-4-18(15)29-36(32,33)20-6-5-19(24)35-20)21-17-14-26-23(27-22(17)30(2)28-21)25-7-8-31-9-11-34-12-10-31/h2-6,13-15,37H,7-12H2,1H3,(H,33,34,35);2-8,15-16,33H,9-14H2,1H3,(H,29,30,31);3-4,11-13,30H,5-10H2,1-2H3,(H,26,27,28);3-6,13-14,29H,7-12H2,1-2H3,(H,25,26,27)
InChIKeyUPFXFNYDCUAAOI-UHFFFAOYSA-N
MW2321.81 g/mol
LogP16.06
Rot. Bonds32

About 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

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 (PubChem CID 161155497) has the molecular formula C97H102Cl3F9N28O12S6 and a molecular weight of 2321.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID161155497
Molecular FormulaC97H102Cl3F9N28O12S6
Molecular Weight2321.81 g/mol
Exact Mass2318.55
IUPAC Name5-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
SMILESCc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl.Cc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1ccc(Cl)s1.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(C(F)(F)F)c2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c2cnc(NCCN3CCOCC3)nc21
InChIInChI=1S/C26H25F6N7O3S.C25H26F3N7O3S.C23H25Cl2N7O3S2.C23H26ClN7O3S2/c1-38-23-19(15-34-24(35-23)33-7-8-39-9-11-42-12-10-39)22(36-38)16-5-6-21(20(13-16)26(30,31)32)37-43(40,41)18-4-2-3-17(14-18)25(27,28)29;1-34-23-21(16-30-24(31-23)29-9-10-35-11-13-38-14-12-35)22(32-34)17-5-7-19(8-6-17)33-39(36,37)20-4-2-3-18(15-20)25(26,27)28;1-14-11-15(3-4-17(14)30-37(33,34)18-12-19(24)36-21(18)25)20-16-13-27-23(28-22(16)31(2)29-20)26-5-6-32-7-9-35-10-8-32;1-15-13-16(3-4-18(15)29-36(32,33)20-6-5-19(24)35-20)21-17-14-26-23(27-22(17)30(2)28-21)25-7-8-31-9-11-34-12-10-31/h2-6,13-15,37H,7-12H2,1H3,(H,33,34,35);2-8,15-16,33H,9-14H2,1H3,(H,29,30,31);3-4,11-13,30H,5-10H2,1-2H3,(H,26,27,28);3-6,13-14,29H,7-12H2,1-2H3,(H,25,26,27)
InChIKeyUPFXFNYDCUAAOI-UHFFFAOYSA-N
XLogP16.06
TPSA457.08 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002321.81
LogP ≤ 516.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 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 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
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
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-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-3-sulfonamide
CID 58861825
5-chloro-N-[2-methyl-4-[1-methyl-6-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]thiophene-2-sulfonamide
CID 58861827
5-chloro-2-(difluoromethyl)-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1,4-dimethylpyrazol-3-yl)benzenesulfinate;5,6-dimethylpyrazin-2-amine
CID 157511259
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
5-chloro-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5,6-dimethylpyrazin-2-amine;5-[(5,6-dimethylpyrazin-2-yl)methyl]-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(5,6-dimethylpyrazin-2-yl)methyl]-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylaniline
CID 159048154
5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-[(6-isocyano-2-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylaniline;6-isocyanopyridin-2-amine
CID 159085306
5-chloro-2-(difluoromethyl)-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)methyl]-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;5,6-dimethylpyrazin-2-amine
CID 160064134
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl.Cc1cc(-c2nn(C)c3nc(NCCN4CCOCC4)ncc23)ccc1NS(=O)(=O)c1ccc(Cl)s1.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(C(F)(F)F)c2)c2cnc(NCCN3CCOCC3)nc21.Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c2cnc(NCCN3CCOCC3)nc21.
What is the InChIKey of 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?
The InChIKey is UPFXFNYDCUAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F6N7O3S.C25H26F3N7O3S.C23H25Cl2N7O3S2.C23H26ClN7O3S2/c1-38-23-19(15-34-24(35-23)33-7-8-39-9-11-42-12-10-39)22(36-38)16-5-6-21(20(13-16)26(30,31)32)37-43(40,41)18-4-2-3-17(14-18)25(27,28)29;1-34-23-21(16-30-24(31-23)29-9-10-35-11-13-38-14-12-35)22(32-34)17-5-7-19(8-6-17)33-39(36,37)20-4-2-3-18(15-20)25(26,27)28;1-14-11-15(3-4-17(14)30-37(33,34)18-12-19(24)36-21(18)25)20-16-13-27-23(28-22(16)31(2)29-20)26-5-6-32-7-9-35-10-8-32;1-15-13-16(3-4-18(15)29-36(32,33)20-6-5-19(24)35-20)21-17-14-26-23(27-22(17)30(2)28-21)25-7-8-31-9-11-34-12-10-31/h2-6,13-15,37H,7-12H2,1H3,(H,33,34,35);2-8,15-16,33H,9-14H2,1H3,(H,29,30,31);3-4,11-13,30H,5-10H2,1-2H3,(H,26,27,28);3-6,13-14,29H,7-12H2,1-2H3,(H,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 2321.81 g/mol, XLogP of 16.06, 32 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161155497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).