About 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride
5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride (PubChem CID 158377962) has the molecular formula C138H142Br7Cl2F12N43O14S
and a molecular weight of 3517.22 g/mol. Its IUPAC name is 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride?
The IUPAC name of 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride (CID 158377962) is 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride.
What is the SMILES notation for 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride?
The canonical SMILES for 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2ccc3cccnc3c2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2ccc3cnn(C(C)C)c3n2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2cccc(C(=O)O)c2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2cnc3ccccc3c2)nc2[nH]c(CC)c(Br)c12.CCOc1nc(Nc2cnc3cccnc3n2)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Cn3cncn3)nc(N3CCN(C(C)=O)CC3)c2c1Br.CCc1[nH]c2nc(Sc3nc4ncccc4c(=O)[nH]3)nc(N3CC(O)C3)c2c1Br.Cl.Cl.
What is the InChIKey of 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride?
The InChIKey is OBLLMVQFDVZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN7O.2C19H18BrN5O.C18H16BrN7O2S.C17H21BrN8O.C17H16BrN7O.C17H17BrN4O3.4C3H3F3O.2ClH/c1-5-12-15(20)14-16(22-12)25-19(26-18(14)28-6-2)24-13-8-7-11-9-21-27(10(3)4)17(11)23-13;1-3-13-16(20)15-17(23-13)24-19(25-18(15)26-4-2)22-12-8-7-11-6-5-9-21-14(11)10-12;1-3-13-16(20)15-17(23-13)24-19(25-18(15)26-4-2)22-12-9-11-7-5-6-8-14(11)21-10-12;1-2-10-12(19)11-14(21-10)23-17(24-15(11)26-6-8(27)7-26)29-18-22-13-9(16(28)25-18)4-3-5-20-13;1-3-12-15(18)14-16(21-12)22-13(8-26-10-19-9-20-26)23-17(14)25-6-4-24(5-7-25)11(2)27;1-3-9-13(18)12-15(21-9)24-17(25-16(12)26-4-2)23-11-8-20-10-6-5-7-19-14(10)22-11;1-3-11-13(18)12-14(20-11)21-17(22-15(12)25-4-2)19-10-7-5-6-9(8-10)16(23)24;4*1-2(7)3(4,5)6;;/h7-10H,5-6H2,1-4H3,(H2,22,23,24,25,26);2*5-10H,3-4H2,1-2H3,(H2,22,23,24,25);3-5,8,27H,2,6-7H2,1H3,(H,21,23,24)(H,20,22,25,28);9-10H,3-8H2,1-2H3,(H,21,22,23);5-8H,3-4H2,1-2H3,(H2,19,21,22,23,24,25);5-8H,3-4H2,1-2H3,(H,23,24)(H2,19,20,21,22);4*1H3;2*1H.
What are the key properties of 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride?
5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride has a molecular weight of 3517.22 g/mol, XLogP of 31.82, 35 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethoxy-6-ethyl-N-(1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoic acid;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrido[2,3-b]pyrazin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-3-amine;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)quinolin-7-amine;2-[[5-bromo-6-ethyl-4-(3-hydroxyazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one;1-[4-[5-bromo-6-ethyl-2-(1,2,4-triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;tetrakis(1,1,1-trifluoropropan-2-one);dihydrochloride is sourced from PubChem (CID 158377962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).