C145H218Cl4F3N33O4 — CID 159870030
4-tert-butyl-5-chloro-N-(1,4-dimethylpyrazol-5-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2,5-dimethylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;4-tert-butyl-5-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;4-tert-butyl-5-methyl-N-(oxetan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(oxolan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-2-amine;1-[4-[(4-tert-butyl-5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;4-tert-butyl-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 159870030) has the molecular formula C145H218Cl4F3N33O4 and a molecular weight of 2686.37 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-N-(1,4-dimethylpyrazol-5-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2,5-dimethylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;4-tert-butyl-5-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;4-tert-butyl-5-methyl-N-(oxetan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(oxolan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-2-amine;1-[4-[(4-tert-butyl-5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;4-tert-butyl-N-(oxan-4-yl)pyridin-2-amine.
| Compound Name | 4-tert-butyl-5-chloro-N-(1,4-dimethylpyrazol-5-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2,5-dimethylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;4-tert-butyl-5-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;4-tert-butyl-5-methyl-N-(oxetan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(oxolan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-2-amine;1-[4-[(4-tert-butyl-5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;4-tert-butyl-N-(oxan-4-yl)pyridin-2-amine |
|---|---|
| PubChem CID | 159870030 |
| Molecular Formula | C145H218Cl4F3N33O4 |
| Molecular Weight | 2686.37 g/mol |
| Exact Mass | 2682.66 |
| IUPAC Name | 4-tert-butyl-5-chloro-N-(1,4-dimethylpyrazol-5-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2,5-dimethylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-tert-butyl-5-chloro-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;4-tert-butyl-5-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;4-tert-butyl-5-methyl-N-(oxetan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(oxolan-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-2-amine;1-[4-[(4-tert-butyl-5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;4-tert-butyl-N-(oxan-4-yl)pyridin-2-amine |
| SMILES | CC(=O)N1CCC(Nc2cc(C(C)(C)C)c(C)cn2)CC1.CC(C)(C)c1ccnc(NC2CCOCC2)c1.Cc1cc(Nc2cc(C(C)(C)C)c(Cl)cn2)n(C)n1.Cc1cnc(NC2CCN(C(C)C)CC2)cc1C(C)(C)C.Cc1cnc(NC2CCN(C)CC2)cc1C(C)(C)C.Cc1cnc(NC2CCOC2)nc1C(C)(C)C.Cc1cnc(NC2COC2)nc1C(C)(C)C.Cc1cnn(C)c1Nc1cc(C(C)(C)C)c(Cl)cn1.Cn1nc(C(F)(F)F)cc1Nc1cc(C(C)(C)C)c(Cl)cn1.Cn1nccc1Nc1cc(C(C)(C)C)c(Cl)cn1 |
| InChI | InChI=1S/C18H31N3.C17H27N3O.C16H27N3.C14H16ClF3N4.2C14H19ClN4.C14H22N2O.C13H17ClN4.C13H21N3O.C12H19N3O/c1-13(2)21-9-7-15(8-10-21)20-17-11-16(18(4,5)6)14(3)12-19-17;1-12-11-18-16(10-15(12)17(3,4)5)19-14-6-8-20(9-7-14)13(2)21;1-12-11-17-15(10-14(12)16(2,3)4)18-13-6-8-19(5)9-7-13;1-13(2,3)8-5-11(19-7-9(8)15)20-12-6-10(14(16,17)18)21-22(12)4;1-9-7-17-19(5)13(9)18-12-6-10(14(2,3)4)11(15)8-16-12;1-9-6-13(19(5)18-9)17-12-7-10(14(2,3)4)11(15)8-16-12;1-14(2,3)11-4-7-15-13(10-11)16-12-5-8-17-9-6-12;1-13(2,3)9-7-11(15-8-10(9)14)17-12-5-6-16-18(12)4;1-9-7-14-12(15-10-5-6-17-8-10)16-11(9)13(2,3)4;1-8-5-13-11(14-9-6-16-7-9)15-10(8)12(2,3)4/h11-13,15H,7-10H2,1-6H3,(H,19,20);10-11,14H,6-9H2,1-5H3,(H,18,19);10-11,13H,6-9H2,1-5H3,(H,17,18);5-7H,1-4H3,(H,19,20);6-8H,1-5H3,(H,16,18);6-8H,1-5H3,(H,16,17);4,7,10,12H,5-6,8-9H2,1-3H3,(H,15,16);5-8H,1-4H3,(H,15,17);7,10H,5-6,8H2,1-4H3,(H,14,15,16);5,9H,6-7H2,1-4H3,(H,13,14,15) |
| InChIKey | NSFMZPVNPCWAFC-UHFFFAOYSA-N |
| XLogP | 33.10 |
| TPSA | 400.74 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2686.37 |
| LogP ≤ 5 | 33.10 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 36 |