C126H160N28O10 — CID 157264088
[3-[4-(benzylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4-methoxy-6-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-morpholin-4-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 157264088) has the molecular formula C126H160N28O10 and a molecular weight of 2226.85 g/mol. Its IUPAC name is [3-[4-(benzylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4-methoxy-6-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-morpholin-4-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
| Compound Name | [3-[4-(benzylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4-methoxy-6-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-morpholin-4-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone |
|---|---|
| PubChem CID | 157264088 |
| Molecular Formula | C126H160N28O10 |
| Molecular Weight | 2226.85 g/mol |
| Exact Mass | 2225.29 |
| IUPAC Name | [3-[4-(benzylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(4-methoxy-6-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-morpholin-4-yl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-phenoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(6-methyl-4-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone |
| SMILES | CC(C)c1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)ccn3)C2)n[nH]1.COc1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1.Cc1cc(N2CCOCC2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.Cc1cc(NCc2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.Cc1cc(OC(C)C)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.Cc1cc(Oc2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1 |
| InChI | InChI=1S/C24H29N5O.C23H26N4O2.C21H29N5O2.C20H24N6O.C20H28N4O2.C18H24N4O2/c1-16(2)21-13-23(28-27-21)24(30)29-10-9-19(15-29)22-12-20(11-17(3)26-22)25-14-18-7-5-4-6-8-18;1-15(2)20-13-22(26-25-20)23(28)27-10-9-17(14-27)21-12-19(11-16(3)24-21)29-18-7-5-4-6-8-18;1-14(2)18-12-20(24-23-18)21(27)26-5-4-16(13-26)19-11-17(10-15(3)22-19)25-6-8-28-9-7-25;1-13(2)17-9-19(24-23-17)20(27)26-7-5-15(12-26)18-8-14(4-6-21-18)16-10-22-25(3)11-16;1-12(2)17-10-19(23-22-17)20(25)24-7-6-15(11-24)18-9-16(26-13(3)4)8-14(5)21-18;1-11(2)15-9-17(21-20-15)18(23)22-6-5-13(10-22)16-8-14(24-4)7-12(3)19-16/h4-8,11-13,16,19H,9-10,14-15H2,1-3H3,(H,25,26)(H,27,28);4-8,11-13,15,17H,9-10,14H2,1-3H3,(H,25,26);10-12,14,16H,4-9,13H2,1-3H3,(H,23,24);4,6,8-11,13,15H,5,7,12H2,1-3H3,(H,23,24);8-10,12-13,15H,6-7,11H2,1-5H3,(H,22,23);7-9,11,13H,5-6,10H2,1-4H3,(H,20,21) |
| InChIKey | AXUJMZBYTAPDPN-UHFFFAOYSA-N |
| XLogP | 21.33 |
| TPSA | 441.29 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2226.85 |
| LogP ≤ 5 | 21.33 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |