About 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 159980086) has the molecular formula C138H144Cl3F12N31O5
and a molecular weight of 2651.22 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (CID 159980086) is 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is C/C=C/C1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CCF)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CCF)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is OFQLNPSKQUCPKW-AAFFIDLGSA-N. The full InChI is InChI=1S/C30H30ClN7O.C27H28ClF3N6O.C27H30ClFN6O.C27H27F5N6O.C27H29F3N6O/c1-3-4-21-17-26(33-19-21)34-27-18-28(38-13-11-37(12-14-38)23-7-9-32-10-8-23)36-30(35-27)39-25-6-5-22-15-20(2)16-24(22)29(25)31;1-3-4-18-13-22(32-15-18)33-23-14-24(37-9-7-36(8-10-37)16-27(29,30)31)35-26(34-23)38-21-6-5-19-11-17(2)12-20(19)25(21)28;1-3-4-19-15-23(30-17-19)31-24-16-25(35-11-9-34(8-7-29)10-12-35)33-27(32-24)36-22-6-5-20-13-18(2)14-21(20)26(22)28;1-3-4-17-11-22(33-14-17)34-23-13-24(38-7-5-37(6-8-38)15-27(30,31)32)36-26(35-23)39-21-12-20(28)18-9-16(2)10-19(18)25(21)29;1-3-4-18-13-23(31-16-18)32-24-15-25(36-9-7-35(6-5-28)8-10-36)34-27(33-24)37-22-14-21(29)19-11-17(2)12-20(19)26(22)30/h3-10,16-18H,11-15,19H2,1-2H3,(H,33,34,35,36);3-6,12-14H,7-11,15-16H2,1-2H3,(H,32,33,34,35);3-6,14-16H,7-13,17H2,1-2H3,(H,30,31,32,33);3-4,10-13H,5-9,14-15H2,1-2H3,(H,33,34,35,36);3-4,12-15H,5-11,16H2,1-2H3,(H,31,32,33,34)/b5*4-3+.
What are the key properties of 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 2651.22 g/mol, XLogP of 27.56, 32 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2-fluoroethyl)piperazin-1-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159980086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).