C147H182Cl6F5N43O7 — CID 160509834
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 160509834) has the molecular formula C147H182Cl6F5N43O7 and a molecular weight of 2971.07 g/mol. Its IUPAC name is 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide.
| Compound Name | 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide |
|---|---|
| PubChem CID | 160509834 |
| Molecular Formula | C147H182Cl6F5N43O7 |
| Molecular Weight | 2971.07 g/mol |
| Exact Mass | 2966.33 |
| IUPAC Name | 5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide |
| SMILES | CNC(=O)CN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C)[nH]n4)n3)cc2OC)CC1.CNC(=O)CN1CCC[C@@H](c2cc(C)c(Cc3ncc(Cl)c(Cc4cc(C)[nH]n4)n3)cc2C)C1.CNC(=O)CN1CCC[C@H](c2cc(C)c(Cc3ncc(Cl)c(Cc4cc(C)[nH]n4)n3)cc2C)C1.Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(C4CCN(CC(N)=O)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C5CCOCC5)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C4CCN(C(C)C(N)=O)CC4)c(F)cc3C)ncc2Cl)n[nH]1 |
| InChI | InChI=1S/2C26H33ClN6O.C25H31ClFN7O.C24H31ClN8O2.C23H26ClF3N8O.C23H28ClFN8O/c2*1-16-9-22(19-6-5-7-33(14-19)15-26(34)28-4)17(2)8-20(16)11-25-29-13-23(27)24(30-25)12-21-10-18(3)31-32-21;1-15-11-22(29-25-28-14-20(26)24(31-25)30-23-12-16(2)32-33-23)21(27)13-19(15)17-3-7-34(8-4-17)18-5-9-35-10-6-18;1-14-9-17(16-5-7-33(8-6-16)13-22(34)26-3)20(35-4)11-19(14)28-24-27-12-18(25)23(30-24)29-21-10-15(2)31-32-21;1-12-7-15(14-3-5-35(6-4-14)11-19(28)36)16(23(25,26)27)9-18(12)30-22-29-10-17(24)21(32-22)31-20-8-13(2)33-34-20;1-12-8-18(25)16(15-4-6-33(7-5-15)14(3)21(26)34)10-19(12)28-23-27-11-17(24)22(30-23)29-20-9-13(2)31-32-20/h2*8-10,13,19H,5-7,11-12,14-15H2,1-4H3,(H,28,34)(H,31,32);11-14,17-18H,3-10H2,1-2H3,(H3,28,29,30,31,32,33);9-12,16H,5-8,13H2,1-4H3,(H,26,34)(H3,27,28,29,30,31,32);7-10,14H,3-6,11H2,1-2H3,(H2,28,36)(H3,29,30,31,32,33,34);8-11,14-15H,4-7H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31,32)/t2*19-;;;;/m10..../s1 |
| InChIKey | QSXAVTINCUMZPG-NLMRPXMFSA-N |
| XLogP | 25.91 |
| TPSA | 634.38 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2971.07 |
| LogP ≤ 5 | 25.91 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 39 |