About 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile
3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile (PubChem CID 167605870) has the molecular formula C165H167F12N37O8
and a molecular weight of 3024.38 g/mol. Its IUPAC name is 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile (CID 167605870) is 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile is CCC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCCO1.C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)CCO1.Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)CC(C#N)C3)c2)nc(C2CC2)n1.Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)CC(C#N)C3)c2)nc(C2CC2)n1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCC6(CC6)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cccc4C(F)(F)F)C3=O)c2)CC(C#N)C1.
What is the InChIKey of 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
The InChIKey is KJIIMDIKODLPOC-RMLRDJTMSA-N. The full InChI is InChI=1S/C32H35F3N6O2.C31H31F3N6O.C30H31F3N6O2.C24H20F3N5O.2C24H25N7O/c1-3-25-18-40(8-5-9-43-25)17-21-10-26-27(28(11-21)32(33,34)35)19-41(30(26)42)24-7-4-6-23(12-24)31(13-22(14-31)16-36)15-29-38-37-20-39(29)2;1-38-19-36-37-27(38)14-30(12-21(13-30)15-35)22-3-2-4-23(11-22)40-17-25-24(28(40)41)9-20(10-26(25)31(32,33)34)16-39-8-7-29(18-39)5-6-29;1-19-15-38(6-7-41-19)16-20-8-24-25(26(9-20)30(31,32)33)17-39(28(24)40)23-5-3-4-22(10-23)29(11-21(12-29)14-34)13-27-36-35-18-37(27)2;1-31-14-29-30-21(31)11-23(9-15(10-23)12-28)16-4-2-5-17(8-16)32-13-19-18(22(32)33)6-3-7-20(19)24(25,26)27;2*1-15-8-20(29-22(27-15)17-6-7-17)23(32)28-19-5-3-4-18(9-19)24(10-16(11-24)13-25)12-21-30-26-14-31(21)2/h4,6-7,10-12,20,22,25H,3,5,8-9,13-15,17-19H2,1-2H3;2-4,9-11,19,21H,5-8,12-14,16-18H2,1H3;3-5,8-10,18-19,21H,6-7,11-13,15-17H2,1-2H3;2-8,14-15H,9-11,13H2,1H3;2*3-5,8-9,14,16-17H,6-7,10-12H2,1-2H3,(H,28,32)/t;;19-,21?,29?;;;/m..1.../s1.
What are the key properties of 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile?
3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile has a molecular weight of 3024.38 g/mol, XLogP of 26.76, 35 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(5-azaspiro[2.4]heptan-5-ylmethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-2-cyclopropyl-6-methylpyrimidine-4-carboxamide);3-[3-[5-[(2-ethyl-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-[3-[5-[[(2R)-2-methylmorpholin-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-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167605870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).