C152H174ClF5N36 — CID 158422714
N-[(3-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine (PubChem CID 158422714) has the molecular formula C152H174ClF5N36 and a molecular weight of 2635.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine.
| Compound Name | N-[(3-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine |
|---|---|
| PubChem CID | 158422714 |
| Molecular Formula | C152H174ClF5N36 |
| Molecular Weight | 2635.76 g/mol |
| Exact Mass | 2633.43 |
| IUPAC Name | N-[(3-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[1-(4-fluoro-2-methylphenyl)ethyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-amine |
| SMILES | Cc1cc(F)ccc1C(C)N(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1C(C)NC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3c2CCC3)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(Cl)c3)CC2)c2ccccc12 |
| InChI | InChI=1S/C27H31FN6.2C26H29FN6.C25H31FN6.C24H25ClN6.C24H29FN6/c1-18-17-20(28)9-10-22(18)19(2)32(3)21-12-15-34(16-13-21)27-24-8-6-5-7-23(24)26(30-31-27)25-11-14-29-33(25)4;1-18-16-20(27)9-8-19(18)17-31(2)21-11-14-33(15-12-21)26-23-7-5-4-6-22(23)25(29-30-26)24-10-13-28-32(24)3;1-17-16-19(27)8-9-21(17)18(2)29-20-11-14-33(15-12-20)26-23-7-5-4-6-22(23)25(30-31-26)24-10-13-28-32(24)3;1-17-15-19(26)8-7-18(17)16-30(2)20-10-13-32(14-11-20)25-22-6-4-5-21(22)24(28-29-25)23-9-12-27-31(23)3;1-30-22(9-12-27-30)23-20-7-2-3-8-21(20)24(29-28-23)31-13-10-19(11-14-31)26-16-17-5-4-6-18(25)15-17;1-16-14-18(25)7-6-17(16)15-26-19-9-12-31(13-10-19)24-21-5-3-4-20(21)23(28-29-24)22-8-11-27-30(22)2/h5-11,14,17,19,21H,12-13,15-16H2,1-4H3;4-10,13,16,21H,11-12,14-15,17H2,1-3H3;4-10,13,16,18,20,29H,11-12,14-15H2,1-3H3;7-9,12,15,20H,4-6,10-11,13-14,16H2,1-3H3;2-9,12,15,19,26H,10-11,13-14,16H2,1H3;6-8,11,14,19,26H,3-5,9-10,12-13,15H2,1-2H3 |
| InChIKey | HARHXYPEWHCNAF-UHFFFAOYSA-N |
| XLogP | 26.44 |
| TPSA | 326.85 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2635.76 |
| LogP ≤ 5 | 26.44 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 36 |