C126H121N25O4 — CID 157482155
2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 157482155) has the molecular formula C126H121N25O4 and a molecular weight of 2049.52 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine.
| Compound Name | 2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine |
|---|---|
| PubChem CID | 157482155 |
| Molecular Formula | C126H121N25O4 |
| Molecular Weight | 2049.52 g/mol |
| Exact Mass | 2048.00 |
| IUPAC Name | 2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine |
| SMILES | C.Cc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1.c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCC3)nc1 |
| InChI | InChI=1S/C26H27N5O.C25H25N5O.C25H25N5.C18H14N4.C16H13N3O.C15H13N3O.CH4/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31;1-18-3-2-4-23(28-18)22-16-27-29-25(22)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30;1-18-5-4-6-23(28-18)25-22(16-27-29-25)21-11-12-26-24(15-21)20-9-7-19(8-10-20)17-30-13-2-3-14-30;1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16;1-2-7-17-14(3-1)16-13(10-18-19-16)12-5-4-11-6-8-20-15(11)9-12;1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11;/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30);2-10,15-16H,11-14,17H2,1H3,(H,27,29);4-12,15-16H,2-3,13-14,17H2,1H3,(H,27,29);2-11H,1H3,(H,20,22);1-5,7,9-10H,6,8H2,(H,18,19);2-9,19H,1H3,(H,16,18);1H4 |
| InChIKey | BWHALVRMARJPSQ-UHFFFAOYSA-N |
| XLogP | 25.29 |
| TPSA | 358.62 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2049.52 |
| LogP ≤ 5 | 25.29 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |