C119H124N22O2 — CID 162082182
6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;6-(2-ethoxy-4-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]-2-pyridinyl]morpholine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine (PubChem CID 162082182) has the molecular formula C119H124N22O2 and a molecular weight of 1894.45 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;6-(2-ethoxy-4-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]-2-pyridinyl]morpholine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine.
| Compound Name | 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;6-(2-ethoxy-4-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]-2-pyridinyl]morpholine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine |
|---|---|
| PubChem CID | 162082182 |
| Molecular Formula | C119H124N22O2 |
| Molecular Weight | 1894.45 g/mol |
| Exact Mass | 1893.03 |
| IUPAC Name | 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;6-(2-ethoxy-4-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]-2-pyridinyl]morpholine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(6-methyl-3-pyridinyl)-7H-cyclopenta[b]pyridine |
| SMILES | CCOc1cc(C2=Cc3c(N4CCC(c5nc(-c6ccccc6)c(C)[nH]5)CC4)ccnc3C2)ccn1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3ccnc(N5CCOCC5)c3)C4)CC2)nc1-c1ccccc1.Cc1ccc(C2=Cc3c(N4CCC(c5nc(-c6ccccc6)c(C)[nH]5)CC4)ccnc3C2)cn1.Cc1nn(C)cc1C1=Cc2c(N3CCC(c4nc(-c5ccccc5)c(C)[nH]4)CC3)ccnc2C1 |
| InChI | InChI=1S/C32H34N6O.C30H31N5O.C29H29N5.C28H30N6/c1-22-31(23-5-3-2-4-6-23)36-32(35-22)24-9-13-37(14-10-24)29-8-12-33-28-20-26(19-27(28)29)25-7-11-34-30(21-25)38-15-17-39-18-16-38;1-3-36-28-19-23(9-13-32-28)24-17-25-26(18-24)31-14-10-27(25)35-15-11-22(12-16-35)30-33-20(2)29(34-30)21-7-5-4-6-8-21;1-19-8-9-23(18-31-19)24-16-25-26(17-24)30-13-10-27(25)34-14-11-22(12-15-34)29-32-20(2)28(33-29)21-6-4-3-5-7-21;1-18-24(17-33(3)32-18)22-15-23-25(16-22)29-12-9-26(23)34-13-10-21(11-14-34)28-30-19(2)27(31-28)20-7-5-4-6-8-20/h2-8,11-12,19,21,24H,9-10,13-18,20H2,1H3,(H,35,36);4-10,13-14,17,19,22H,3,11-12,15-16,18H2,1-2H3,(H,33,34);3-10,13,16,18,22H,11-12,14-15,17H2,1-2H3,(H,32,33);4-9,12,15,17,21H,10-11,13-14,16H2,1-3H3,(H,30,31) |
| InChIKey | ZCMGZVQRKQGHCI-UHFFFAOYSA-N |
| XLogP | 22.81 |
| TPSA | 257.43 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1894.45 |
| LogP ≤ 5 | 22.81 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |