About tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 158034227) has the molecular formula C131H150Cl5F8N43O6
and a molecular weight of 2752.18 g/mol. Its IUPAC name is tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 158034227) is tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1cc(Nc2nc(Cc3cc(C)c(C4CCN(C5CCN(C(=O)OC(C)(C)C)C5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5c(C)nn(C)c5C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5cnn(C)c5C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5noc(C)n5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1noc(CN2CCC(c3cc(F)c(Nc4ncc(Cl)c(Nc5cc(C)[nH]n5)n4)cc3C)CC2)n1.
What is the InChIKey of tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is FHNXAJIIJVVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClFN7O2.C27H31ClFN9O.C26H26ClF4N9O.2C24H27ClFN9O/c1-18-12-21(14-26-33-16-24(31)28(34-26)35-27-13-19(2)36-37-27)25(32)15-23(18)20-6-9-38(10-7-20)22-8-11-39(17-22)29(40)41-30(3,4)5;1-14-10-22(31-27-30-13-20(28)25(33-27)32-23-11-15(2)34-35-23)21(29)12-19(14)18-6-8-38(9-7-18)26(39)24-16(3)36-37(5)17(24)4;1-13-8-20(34-25-32-12-18(27)23(36-25)35-21-9-14(2)37-38-21)19(28)10-16(13)15-4-6-40(7-5-15)24(41)17-11-33-39(3)22(17)26(29,30)31;1-13-8-20(29-24-27-11-18(25)23(31-24)30-21-9-14(2)32-33-21)19(26)10-17(13)16-4-6-35(7-5-16)12-22-28-15(3)36-34-22;1-13-8-20(29-24-27-11-18(25)23(31-24)30-21-9-14(2)32-33-21)19(26)10-17(13)16-4-6-35(7-5-16)12-22-28-15(3)34-36-22/h12-13,15-16,20,22H,6-11,14,17H2,1-5H3,(H2,33,34,35,36,37);10-13,18H,6-9H2,1-5H3,(H3,30,31,32,33,34,35);8-12,15H,4-7H2,1-3H3,(H3,32,34,35,36,37,38);2*8-11,16H,4-7,12H2,1-3H3,(H3,27,29,30,31,32,33).
What are the key properties of tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 2752.18 g/mol, XLogP of 27.80, 32 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]pyrrolidine-1-carboxylate;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 158034227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).