C176H180Cl7N19O11 — CID 159709350
N-butyl-4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(3-hydroxypropyl)benzamide;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;propan-2-yl 2-[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate (PubChem CID 159709350) has the molecular formula C176H180Cl7N19O11 and a molecular weight of 2985.67 g/mol. Its IUPAC name is N-butyl-4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(3-hydroxypropyl)benzamide;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;propan-2-yl 2-[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate.
| Compound Name | N-butyl-4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(3-hydroxypropyl)benzamide;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;propan-2-yl 2-[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate |
|---|---|
| PubChem CID | 159709350 |
| Molecular Formula | C176H180Cl7N19O11 |
| Molecular Weight | 2985.67 g/mol |
| Exact Mass | 2980.19 |
| IUPAC Name | N-butyl-4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(3-hydroxypropyl)benzamide;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;propan-2-yl 2-[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate |
| SMILES | CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)O)c3)c2)c(Cl)c1.CC1C2CCC1CN(C(=O)c1ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c1)C2.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.CCCCN(CCCO)C(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.C[C@H]1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)C1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)O)c3)c2)c(Cl)c1.O=C(c1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1)N1CCC[C@H]1CO |
| InChI | InChI=1S/C28H34ClN3O2.C28H28ClN3O.C26H26ClN3O.C25H24ClN3O2.C25H24ClN3O.C24H25ClN2O3.C20H19ClN2O/c1-5-6-12-32(13-7-14-33)27(34)21-8-9-24(25(29)16-21)23-15-22(18-30-19-23)20-10-11-31-26(17-20)28(2,3)4;1-17-21-4-5-22(17)16-32(15-21)28(33)20-6-7-25(26(29)11-20)24-10-23(13-30-14-24)19-8-9-31-27(12-19)18-2-3-18;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;26-23-11-18(25(31)29-9-1-2-21(29)15-30)5-6-22(23)20-10-19(13-27-14-20)17-7-8-28-24(12-17)16-3-4-16;1-16-7-9-29(15-16)25(30)19-4-5-22(23(26)11-19)21-10-20(13-27-14-21)18-6-8-28-24(12-18)17-2-3-17;1-15(2)30-23(28)10-16-5-6-20(21(25)9-16)19-11-18(13-26-14-19)17-7-8-27-22(12-17)24(3,4)29;1-13-4-5-17(18(21)8-13)16-9-15(11-22-12-16)14-6-7-23-19(10-14)20(2,3)24/h8-11,15-19,33H,5-7,12-14H2,1-4H3;6-14,17-18,21-22H,2-5,15-16H2,1H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-8,10-14,16,21,30H,1-4,9,15H2;4-6,8,10-14,16-17H,2-3,7,9,15H2,1H3;5-9,11-15,29H,10H2,1-4H3;4-12,24H,1-3H3/t;;;21-;16-;;/m...00../s1 |
| InChIKey | MYQAEHRHTWUKQU-UUDGXRGKSA-N |
| XLogP | 40.01 |
| TPSA | 389.23 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 213 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2985.67 |
| LogP ≤ 5 | 40.01 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |