C146H152ClF7N38O — CID 160586889
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;chloride (PubChem CID 160586889) has the molecular formula C146H152ClF7N38O and a molecular weight of 2623.53 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;chloride.
| Compound Name | N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;chloride |
|---|---|
| PubChem CID | 160586889 |
| Molecular Formula | C146H152ClF7N38O |
| Molecular Weight | 2623.53 g/mol |
| Exact Mass | 2621.26 |
| IUPAC Name | N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;4-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;chloride |
| SMILES | CN(Cc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1cccc(CNC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(C#N)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)nc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3)CC2)c2ccccc12.[Cl-].[H+] |
| InChI | InChI=1S/C25H26F2N6.C25H25N7.C25H28N6O.C24H24F2N6.C24H25FN6.C23H23F2N7.ClH/c1-31(16-17-7-8-18(26)15-22(17)27)19-10-13-33(14-11-19)25-21-6-4-3-5-20(21)24(29-30-25)23-9-12-28-32(23)2;1-31-23(10-13-28-31)24-21-4-2-3-5-22(21)25(30-29-24)32-14-11-20(12-15-32)27-17-19-8-6-18(16-26)7-9-19;1-30-23(10-13-27-30)24-21-8-3-4-9-22(21)25(29-28-24)31-14-11-19(12-15-31)26-17-18-6-5-7-20(16-18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(25)14-21(16)26;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;1-31-19(8-11-27-31)21-17-4-2-3-5-18(17)23(30-29-21)32-12-9-16(10-13-32)26-14-15-6-7-20(24)28-22(15)25;/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3;2-10,13,20,27H,11-12,14-15,17H2,1H3;3-10,13,16,19,26H,11-12,14-15,17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,19,26H,10-11,13-14,16H2,1H3;2-8,11,16,26H,9-10,12-14H2,1H3;1H |
| InChIKey | OBJZTTCPIVHLOU-UHFFFAOYSA-N |
| XLogP | 20.44 |
| TPSA | 390.34 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2623.53 |
| LogP ≤ 5 | 20.44 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|