About 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 158649656) has the molecular formula C122H133F4N25O
and a molecular weight of 2041.57 g/mol. Its IUPAC name is 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 158649656) is 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is CCCCN(Cc1ccccc1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)n21.CCCCN(Cc1ccccc1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(NCC)n3)n21.CN(C)CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN2CCc4ccccc4C2)CC3)n1.COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4n3[C@H](CN3CCc5ccccc5C3)CC4)n2)cc1.
What is the InChIKey of 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IBJUSYHLHOYSMA-WQOQQQESSA-N. The full InChI is InChI=1S/C34H33FN6O.C30H34FN7.C30H35FN6.C28H31FN6/c1-42-29-13-6-23(7-14-29)20-37-34-36-18-16-30(38-34)33-32(25-8-10-27(35)11-9-25)39-31-15-12-28(41(31)33)22-40-19-17-24-4-2-3-5-26(24)21-40;1-36(2)18-16-33-30-32-15-13-26(34-30)29-28(22-7-9-24(31)10-8-22)35-27-12-11-25(38(27)29)20-37-17-14-21-5-3-4-6-23(21)19-37;1-3-5-19-36(20-22-9-7-6-8-10-22)21-25-15-16-27-35-28(23-11-13-24(31)14-12-23)29(37(25)27)26-17-18-33-30(34-26)32-4-2;1-2-3-17-34(18-20-7-5-4-6-8-20)19-23-13-14-25-33-26(21-9-11-22(29)12-10-21)27(35(23)25)24-15-16-31-28(30)32-24/h2-11,13-14,16,18,28H,12,15,17,19-22H2,1H3,(H,36,37,38);3-10,13,15,25H,11-12,14,16-20H2,1-2H3,(H,32,33,34);6-14,17-18,25H,3-5,15-16,19-21H2,1-2H3,(H,32,33,34);4-12,15-16,23H,2-3,13-14,17-19H2,1H3,(H2,30,31,32)/t28-;2*25-;23-/m0000/s1.
What are the key properties of 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine?
4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 2041.57 g/mol, XLogP of 22.86, 36 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[(5S)-5-[[benzyl(butyl)amino]methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;N-[4-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 158649656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).