About 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 159292292) has the molecular formula C127H149Cl5F6N34O7
and a molecular weight of 2555.07 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 159292292) is 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CCC(=O)CN1CCC(c2cc(F)c(Nc3ncc(Cl)c(Nc4cc(C5CC5)[nH]n4)n3)cc2C)CC1.Cc1cc(Cc2nc(Cc3cc(C4CCN(CC(O)C(F)(F)F)CC4)c(F)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4C(=O)C4(O)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCCN4Cc4c(C)noc4C)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(O)CC5)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LAGVXQFCXDSPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O.C26H31ClFN7O.C25H28ClF4N5O.C25H30ClN7O2.C24H27ClFN7O2/c1-15-11-23(30-27-29-13-22(28)26(32-27)31-25-12-17(3)33-34-25)16(2)10-20(15)24-8-6-7-9-36(24)14-21-18(4)35-37-19(21)5;1-3-18(36)14-35-8-6-16(7-9-35)19-11-21(28)23(10-15(19)2)30-26-29-13-20(27)25(32-26)31-24-12-22(33-34-24)17-4-5-17;1-14-7-21(27)19(16-3-5-35(6-4-16)13-23(36)25(28,29)30)9-17(14)10-24-31-12-20(26)22(32-24)11-18-8-15(2)33-34-18;1-14-11-19(28-24-27-13-18(26)22(30-24)29-21-12-16(3)31-32-21)15(2)10-17(14)20-6-4-5-9-33(20)23(34)25(35)7-8-25;1-13-9-19(28-23-27-12-17(25)21(30-23)29-20-10-14(2)31-32-20)18(26)11-16(13)15-3-7-33(8-4-15)22(34)24(35)5-6-24/h10-13,24H,6-9,14H2,1-5H3,(H3,29,30,31,32,33,34);10-13,16-17H,3-9,14H2,1-2H3,(H3,29,30,31,32,33,34);7-9,12,16,23,36H,3-6,10-11,13H2,1-2H3,(H,33,34);10-13,20,35H,4-9H2,1-3H3,(H3,27,28,29,30,31,32);9-12,15,35H,3-8H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 2555.07 g/mol, XLogP of 26.49, 35 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)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-hydroxycyclopropyl)methanone;3-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2-fluoro-4-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 159292292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).