About [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride
[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride (PubChem CID 157156745) has the molecular formula C120H141Cl14F9N34O6
and a molecular weight of 2823.00 g/mol. Its IUPAC name is [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride.
Frequently Asked Questions
What is the IUPAC name of [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride?
The IUPAC name of [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride (CID 157156745) is [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride.
What is the SMILES notation for [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride?
The canonical SMILES for [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride is CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ncc(N3CCN(C(=O)C4CCCCN4)CC3)nc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ncc(N3CCN(C(=O)C4CCCN4)CC3)nc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ncc(N3CCN(C(=O)C4CCCN4)CC3)nc21.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(CN4CCCC4)CC3)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCN(C(=O)C4CCCN4C)C(C)C3)cnc12.Cl.Cl.Cl.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride?
The InChIKey is ZENZBGVJPIHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N7O.C24H26Cl2F3N7O.C24H30Cl2N6.C23H24Cl2F3N7O.C22H25Cl2N7O.C2HF3O2.4ClH/c1-15-14-32(10-11-33(15)25(35)21-6-5-9-31(21)4)22-13-28-23-16(2)30-34(24(23)29-22)17(3)19-8-7-18(26)12-20(19)27;1-14(16-6-5-15(25)12-17(16)26)36-22-20(21(33-36)24(27,28)29)31-13-19(32-22)34-8-10-35(11-9-34)23(37)18-4-2-3-7-30-18;1-16-23-24(32(29-16)17(2)20-6-5-19(25)13-21(20)26)28-22(14-27-23)31-11-7-18(8-12-31)15-30-9-3-4-10-30;1-13(15-5-4-14(24)11-16(15)25)35-21-19(20(32-35)23(26,27)28)30-12-18(31-21)33-7-9-34(10-8-33)22(36)17-3-2-6-29-17;1-14(16-5-4-15(23)11-17(16)24)31-21-19(12-27-31)26-13-20(28-21)29-7-9-30(10-8-29)22(32)18-3-2-6-25-18;3-2(4,5)1(6)7;;;;/h7-8,12-13,15,17,21H,5-6,9-11,14H2,1-4H3;5-6,12-14,18,30H,2-4,7-11H2,1H3;5-6,13-14,17-18H,3-4,7-12,15H2,1-2H3;4-5,11-13,17,29H,2-3,6-10H2,1H3;4-5,11-14,18,25H,2-3,6-10H2,1H3;(H,6,7);4*1H.
What are the key properties of [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride?
[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride has a molecular weight of 2823.00 g/mol, XLogP of 23.72, 21 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine;[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-piperidin-2-ylmethanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride is sourced from PubChem (CID 157156745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).