C117H93Cl10N27O10 — CID 159048500
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide (PubChem CID 159048500) has the molecular formula C117H93Cl10N27O10 and a molecular weight of 2391.74 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide.
| Compound Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide |
|---|---|
| PubChem CID | 159048500 |
| Molecular Formula | C117H93Cl10N27O10 |
| Molecular Weight | 2391.74 g/mol |
| Exact Mass | 2385.45 |
| IUPAC Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide |
| SMILES | CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)c1ccncn1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1 |
| InChI | InChI=1S/C25H20Cl2N6O2.C25H24Cl2N4O2.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-33(23-10-11-28-15-30-23)14-16-2-4-17(5-3-16)24(34)31-21-8-6-18(26)12-20(21)25(35)32-22-9-7-19(27)13-29-22;26-19-8-10-22(21(14-19)25(33)30-23-11-9-20(27)15-28-23)29-24(32)18-6-4-17(5-7-18)16-31-12-2-1-3-13-31;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h2-13,15H,14H2,1H3,(H,31,34)(H,29,32,35);4-11,14-15H,1-3,12-13,16H2,(H,29,32)(H,28,30,33);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32) |
| InChIKey | JWYNZQAKWUSGRZ-UHFFFAOYSA-N |
| XLogP | 25.40 |
| TPSA | 466.95 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.74 |
| LogP ≤ 5 | 25.40 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |