About N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 158456098) has the molecular formula C129H121F17N30O6
and a molecular weight of 2510.56 g/mol. Its IUPAC name is N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
Frequently Asked Questions
What is the IUPAC name of N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 158456098) is N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN(CCOC)Cc2ccccc2OC)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ccc(C(F)(F)F)cn2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ccc(C(F)(F)F)cn2)CC3)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ccc(C(F)(F)F)cn2)CC3)n1.Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ccc(C(F)(F)F)cn2)CC3)n1.
What is the InChIKey of N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is HEOXEVRBIHSKJB-JMWBCGHPSA-N. The full InChI is InChI=1S/C31H37FN6O2.C26H24F4N6O.C25H22F4N6O.C24H20F4N6O.C23H18F4N6O/c1-4-16-33-31-34-17-15-26(35-31)30-29(22-9-11-24(32)12-10-22)36-28-14-13-25(38(28)30)21-37(18-19-39-2)20-23-7-5-6-8-27(23)40-3;1-2-12-31-25-32-13-11-20(34-25)24-23(16-3-6-18(27)7-4-16)35-21-9-8-19(36(21)24)15-37-22-10-5-17(14-33-22)26(28,29)30;1-2-30-24-31-12-11-19(33-24)23-22(15-3-6-17(26)7-4-15)34-20-9-8-18(35(20)23)14-36-21-10-5-16(13-32-21)25(27,28)29;1-29-23-30-11-10-18(32-23)22-21(14-2-5-16(25)6-3-14)33-19-8-7-17(34(19)22)13-35-20-9-4-15(12-31-20)24(26,27)28;24-15-4-1-13(2-5-15)20-21(17-9-10-29-22(28)31-17)33-16(6-7-18(33)32-20)12-34-19-8-3-14(11-30-19)23(25,26)27/h5-12,15,17,25H,4,13-14,16,18-21H2,1-3H3,(H,33,34,35);3-7,10-11,13-14,19H,2,8-9,12,15H2,1H3,(H,31,32,34);3-7,10-13,18H,2,8-9,14H2,1H3,(H,30,31,33);2-6,9-12,17H,7-8,13H2,1H3,(H,29,30,32);1-5,8-11,16H,6-7,12H2,(H2,28,29,31)/t25-;19-;18-;17-;16-/m00000/s1.
What are the key properties of N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 2510.56 g/mol, XLogP of 27.00, 39 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 158456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).