C102H105ClN20O5 — CID 162150591
3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 162150591) has the molecular formula C102H105ClN20O5 and a molecular weight of 1726.55 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
| Compound Name | 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
|---|---|
| PubChem CID | 162150591 |
| Molecular Formula | C102H105ClN20O5 |
| Molecular Weight | 1726.55 g/mol |
| Exact Mass | 1724.83 |
| IUPAC Name | 3-(4-chlorophenyl)-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;3-(2-methoxyphenyl)-1-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]azepan-1-yl]propan-1-one;2-phenyl-1-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;phenyl-[2-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
| SMILES | COc1ccccc1CCC(=O)N1CCCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=C(CCc1ccc(Cl)cc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(Cc1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2.O=C(c1ccccc1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]c4)ccc31)C2 |
| InChI | InChI=1S/C27H31N5O2.C26H26ClN5O.C25H25N5O.C24H23N5O/c1-34-26-7-3-2-6-21(26)9-11-27(33)31-13-4-5-20(12-14-31)19-32-25-10-8-22(15-23(25)18-30-32)24-16-28-29-17-24;27-22-5-1-17(2-6-22)3-10-26(33)32-23-7-9-25(32)20(12-23)16-31-24-8-4-18(11-19(24)15-30-31)21-13-28-29-14-21;31-25(10-17-4-2-1-3-5-17)30-22-7-9-24(30)20(12-22)16-29-23-8-6-18(11-19(23)15-28-29)21-13-26-27-14-21;30-24(16-4-2-1-3-5-16)29-21-7-9-23(29)19(11-21)15-28-22-8-6-17(10-18(22)14-27-28)20-12-25-26-13-20/h2-3,6-8,10,15-18,20H,4-5,9,11-14,19H2,1H3,(H,28,29);1-2,4-6,8,11,13-15,20,23,25H,3,7,9-10,12,16H2,(H,28,29);1-6,8,11,13-15,20,22,24H,7,9-10,12,16H2,(H,26,27);1-6,8,10,12-14,19,21,23H,7,9,11,15H2,(H,25,26) |
| InChIKey | ZLDQIQUUONSHDH-UHFFFAOYSA-N |
| XLogP | 17.96 |
| TPSA | 276.47 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 128 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1726.55 |
| LogP ≤ 5 | 17.96 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |