About 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 157196014) has the molecular formula C169H176F5N45O12
and a molecular weight of 3124.56 g/mol. Its IUPAC name is 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
Frequently Asked Questions
What is the IUPAC name of 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 157196014) is 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)CCOc1ccc(N2CCN(CC3C=C(c4cc5nc(-c6ccco6)nn5c(N)n4)C=CC3)CC2)cc1.CC(c1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1)N1CCN(c2ccc(F)cc2F)CC1.CCCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(Cc3cncc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.COCCOc1ccc(N2CCN(Cc3cncc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cncc(CN3CCN(c4ccc(F)cc4F)CC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is AQGKGTBHUXEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O2.C30H33N7O2.C28H29FN8O3.C28H30N8O3.C27H25F2N7O.C25H22F2N8O/c1-22(2)12-18-39-26-10-8-25(9-11-26)37-15-13-36(14-16-37)21-23-5-3-6-24(19-23)27-20-29-34-30(28-7-4-17-40-28)35-38(29)31(32)33-27;1-2-3-17-38-25-11-9-24(10-12-25)36-15-13-35(14-16-36)21-22-6-4-7-23(19-22)26-20-28-33-29(27-8-5-18-39-27)34-37(28)30(31)32-26;1-38-11-12-39-21-4-5-24(22(29)14-21)36-8-6-35(7-9-36)18-19-13-20(17-31-16-19)23-15-26-33-27(25-3-2-10-40-25)34-37(26)28(30)32-23;1-37-13-14-38-23-6-4-22(5-7-23)35-10-8-34(9-11-35)19-20-15-21(18-30-17-20)24-16-26-32-27(25-3-2-12-39-25)33-36(26)28(29)31-24;1-17(34-9-11-35(12-10-34)23-8-7-20(28)15-21(23)29)18-4-2-5-19(14-18)22-16-25-32-26(24-6-3-13-37-24)33-36(25)27(30)31-22;26-18-3-4-21(19(27)11-18)34-7-5-33(6-8-34)15-16-10-17(14-29-13-16)20-12-23-31-24(22-2-1-9-36-22)32-35(23)25(28)30-20/h3-4,6-11,17,19-20,22-23H,5,12-16,18,21H2,1-2H3,(H2,32,33);4-12,18-20H,2-3,13-17,21H2,1H3,(H2,31,32);2-5,10,13-17H,6-9,11-12,18H2,1H3,(H2,30,32);2-7,12,15-18H,8-11,13-14,19H2,1H3,(H2,29,31);2-8,13-17H,9-12H2,1H3,(H2,30,31);1-4,9-14H,5-8,15H2,(H2,28,30).
What are the key properties of 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 3124.56 g/mol, XLogP of 25.62, 46 rotatable bonds, 6 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[4-(4-butoxyphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[5-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(3-methylbutoxy)phenyl]piperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 157196014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).