About N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide
N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide (PubChem CID 158386210) has the molecular formula C123H134N20O8
and a molecular weight of 2020.56 g/mol. Its IUPAC name is N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide.
Frequently Asked Questions
What is the IUPAC name of N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide?
The IUPAC name of N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide (CID 158386210) is N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide is CN[C@H]1CCCN(Cc2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3cnc(C)c3)c2)C1.CN[C@H]1CCN(Cc2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3cnc(C)c3)c2)C1.Cc1cn(-c2cc(CN3CC[C@@H]4CNC[C@@H]43)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.Cc1cn(-c2cc(CN3C[C@@H]4CCN[C@@H]4C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)cn1.
What is the InChIKey of N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide?
The InChIKey is GWKDICBEQMHYCA-XVMSKVPBSA-N. The full InChI is InChI=1S/2C31H33N5O2.C31H35N5O2.C30H33N5O2/c1-21-8-9-24(14-30(21)38-28-6-4-3-5-7-28)31(37)34-26-12-23(13-27(15-26)36-18-22(2)33-20-36)19-35-11-10-25-16-32-17-29(25)35;1-21-8-9-24(14-30(21)38-28-6-4-3-5-7-28)31(37)34-26-12-23(13-27(15-26)36-16-22(2)33-20-36)17-35-18-25-10-11-32-29(25)19-35;1-22-11-12-25(16-30(22)38-29-9-5-4-6-10-29)31(37)34-27-14-24(19-35-13-7-8-26(20-35)32-3)15-28(17-27)36-18-23(2)33-21-36;1-21-9-10-24(15-29(21)37-28-7-5-4-6-8-28)30(36)33-26-13-23(18-34-12-11-25(19-34)31-3)14-27(16-26)35-17-22(2)32-20-35/h3-9,12-15,18,20,25,29,32H,10-11,16-17,19H2,1-2H3,(H,34,37);3-9,12-16,20,25,29,32H,10-11,17-19H2,1-2H3,(H,34,37);4-6,9-12,14-18,21,26,32H,7-8,13,19-20H2,1-3H3,(H,34,37);4-10,13-17,20,25,31H,11-12,18-19H2,1-3H3,(H,33,36)/t2*25-,29+;26-;25-/m1000/s1.
What are the key properties of N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide?
N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide has a molecular weight of 2020.56 g/mol, XLogP of 21.70, 30 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-[[(3S)-3-(methylamino)pyrrolidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 158386210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).