About 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 163721584) has the molecular formula C151H189FN44O8
and a molecular weight of 2767.47 g/mol. Its IUPAC name is 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 163721584) is 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C56CC(C5)C6)c4n3)cc2F)CC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)nc3)nc2n1C12CC(C1)C2.CN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C56CC(C5)C6)c4n3)cn2)CC1.COc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC(C4)C5)c3n2)ccc1N1CCN(C)CC1.COc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC(C4)C5)c3n2)ccc1N1CCNCC1.Cc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC(C4)C5)c3n2)ccc1N1CCN(C)CC1.
What is the InChIKey of 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KSBGWSVTDKLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O.C26H33N7O2.C26H33N7O.C25H31N7O2.C24H30N8O.C23H28N8O/c1-17(2)33-7-9-34(10-8-33)22-6-5-20(12-21(22)28)30-26-29-16-19-11-23(25(36)32(3)4)35(24(19)31-26)27-13-18(14-27)15-27;1-30(2)24(34)21-11-18-16-27-25(29-23(18)33(21)26-13-17(14-26)15-26)28-19-5-6-20(22(12-19)35-4)32-9-7-31(3)8-10-32;1-17-11-20(5-6-21(17)32-9-7-31(4)8-10-32)28-25-27-16-19-12-22(24(34)30(2)3)33(23(19)29-25)26-13-18(14-26)15-26;1-30(2)23(33)20-10-17-15-27-24(29-22(17)32(20)25-12-16(13-25)14-25)28-18-4-5-19(21(11-18)34-3)31-8-6-26-7-9-31;1-29(2)22(33)19-10-17-14-26-23(28-21(17)32(19)24-11-16(12-24)13-24)27-18-4-5-20(25-15-18)31-8-6-30(3)7-9-31;1-29(2)21(32)18-9-16-13-26-22(28-20(16)31(18)23-10-15(11-23)12-23)27-17-3-4-19(25-14-17)30-7-5-24-6-8-30/h5-6,11-12,16-18H,7-10,13-15H2,1-4H3,(H,29,30,31);5-6,11-12,16-17H,7-10,13-15H2,1-4H3,(H,27,28,29);5-6,11-12,16,18H,7-10,13-15H2,1-4H3,(H,27,28,29);4-5,10-11,15-16,26H,6-9,12-14H2,1-3H3,(H,27,28,29);4-5,10,14-16H,6-9,11-13H2,1-3H3,(H,26,27,28);3-4,9,13-15,24H,5-8,10-12H2,1-2H3,(H,26,27,28).
What are the key properties of 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2767.47 g/mol, XLogP of 18.17, 33 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 163721584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).