About 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile
3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile (PubChem CID 167587433) has the molecular formula C156H163F17N30O8
and a molecular weight of 2909.19 g/mol. Its IUPAC name is 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile (CID 167587433) is 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile is CC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCCO1.CN(Cc1cc2c(c(C(F)(F)F)c1)CN(c1cccc(C3(Cc4nncn4C)CC(C#N)C3)c1)C2=O)C1CCC(F)(F)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCOCC5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCOCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(C)(C)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.
What is the InChIKey of 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The InChIKey is HZDKASHSVZZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2.C32H35F3N6O.C31H31F5N6O.C31H33F3N6O2.C30H31F3N6O2/c1-39-20-37-38-28(39)14-31(12-22(13-31)15-36)23-3-2-4-24(11-23)41-17-26-25(29(41)42)9-21(10-27(26)32(33,34)35)16-40-7-8-43-19-30(18-40)5-6-30;1-30(2)8-7-23(14-30)37-17-20-9-25-26(27(10-20)32(33,34)35)18-41(29(25)42)24-6-4-5-22(11-24)31(12-21(13-31)16-36)15-28-39-38-19-40(28)3;1-40(23-6-7-30(32,33)13-23)16-19-8-24-25(26(9-19)31(34,35)36)17-42(28(24)43)22-5-3-4-21(10-22)29(11-20(12-29)15-37)14-27-39-38-18-41(27)2;1-20-16-39(7-4-8-42-20)17-21-9-25-26(27(10-21)31(32,33)34)18-40(29(25)41)24-6-3-5-23(11-24)30(12-22(13-30)15-35)14-28-37-36-19-38(28)2;1-37-19-35-36-27(37)15-29(13-21(14-29)16-34)22-4-2-5-23(12-22)39-18-25-24(28(39)40)10-20(11-26(25)30(31,32)33)17-38-6-3-8-41-9-7-38/h2-4,9-11,20,22H,5-8,12-14,16-19H2,1H3;4-6,9-11,19,21,23,37H,7-8,12-15,17-18H2,1-3H3;3-5,8-10,18,20,23H,6-7,11-14,16-17H2,1-2H3;3,5-6,9-11,19-20,22H,4,7-8,12-14,16-18H2,1-2H3;2,4-5,10-12,19,21H,3,6-9,13-15,17-18H2,1H3.
What are the key properties of 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile has a molecular weight of 2909.19 g/mol, XLogP of 26.78, 32 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[[(3,3-difluorocyclopentyl)-methylamino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile;3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[3-[5-(1,4-oxazepan-4-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167587433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).