About 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 161285468) has the molecular formula C140H143ClN36O12S11
and a molecular weight of 2910.11 g/mol. Its IUPAC name is 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 161285468) is 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1nnc(CS(=O)(=O)c2ccc(Nc3ncnc4[nH]cc(-c5ccc(C)cc5)c34)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=O)N3CCN(c4ncnc5[nH]cc(-c6ccc(C)c(Cl)c6)c45)CC3)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(CC(=O)N3CCN(c4ncnc5[nH]cc(-c6ccc(C)cc6)c45)CC3)cc2)s1.Cc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=S)Cc5ccc(S(=O)(=O)N6CCN(C)CC6)cc5)CC4)c23)cc1.Cc1ccc(-c2c[nH]c3ncnc(N4CCN(C(=S)Cc5ccc(S(=O)(=O)Nc6nccs6)cc5)CC4)c23)cc1.
What is the InChIKey of 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VFQSHSZCRZJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2S2.C29H29ClN8O3S2.C29H30N8O3S2.C28H27N7O2S3.C24H22N6O2S2/c1-22-3-7-24(8-4-22)26-20-31-29-28(26)30(33-21-32-29)36-15-13-35(14-16-36)27(40)19-23-5-9-25(10-6-23)41(38,39)37-17-11-34(2)12-18-37;1-3-24-34-35-29(42-24)36-43(40,41)21-8-5-19(6-9-21)14-25(39)37-10-12-38(13-11-37)28-26-22(16-31-27(26)32-17-33-28)20-7-4-18(2)23(30)15-20;1-3-24-33-34-29(41-24)35-42(39,40)22-10-6-20(7-11-22)16-25(38)36-12-14-37(15-13-36)28-26-23(17-30-27(26)31-18-32-28)21-8-4-19(2)5-9-21;1-19-2-6-21(7-3-19)23-17-30-26-25(23)27(32-18-31-26)35-13-11-34(12-14-35)24(38)16-20-4-8-22(9-5-20)40(36,37)33-28-29-10-15-39-28;1-3-20-29-30-21(33-20)13-34(31,32)18-10-8-17(9-11-18)28-24-22-19(12-25-23(22)26-14-27-24)16-6-4-15(2)5-7-16/h3-10,20-21H,11-19H2,1-2H3,(H,31,32,33);4-9,15-17H,3,10-14H2,1-2H3,(H,35,36)(H,31,32,33);4-11,17-18H,3,12-16H2,1-2H3,(H,34,35)(H,30,31,32);2-10,15,17-18H,11-14,16H2,1H3,(H,29,33)(H,30,31,32);4-12,14H,3,13H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 2910.11 g/mol, XLogP of 22.24, 36 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-(3-chloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenyl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethione;4-[2-[4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-sulfanylideneethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 161285468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).