C154H174N28O9 — CID 158981518
N-[2-(2-acetamidoethylamino)ethyl]-2-[[3-[3-[[3-[2-(2-acetamidoethylamino)ethyl-[2-(3-cyanophenyl)ethyl]carbamoyl]-2-pyridinyl]methyl]-2-methylphenyl]-2-methylphenyl]methyl]-N-[2-(3-cyanophenyl)ethyl]pyridine-3-carboxamide;N-[2-(2-acetamidoethylamino)ethyl]-2-[3-[3-[[4-[2-(2-acetamidoethylamino)ethyl-[2-(3-methylphenyl)ethyl]carbamoyl]-2-pyridinyl]amino]-2-methylphenyl]-2-methylanilino]-N-[2-(3-cyanophenyl)ethyl]pyridine-4-carboxamide;N-[2-[[2-[2-methyl-3-[2-methyl-3-[6-[[2-(prop-1-en-2-ylamino)ethylamino]methyl]indolizin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]ethyl]acetamide (PubChem CID 158981518) has the molecular formula C154H174N28O9 and a molecular weight of 2561.27 g/mol. Its IUPAC name is N-[2-(2-acetamidoethylamino)ethyl]-2-[[3-[3-[[3-[2-(2-acetamidoethylamino)ethyl-[2-(3-cyanophenyl)ethyl]carbamoyl]-2-pyridinyl]methyl]-2-methylphenyl]-2-methylphenyl]methyl]-N-[2-(3-cyanophenyl)ethyl]pyridine-3-carboxamide;N-[2-(2-acetamidoethylamino)ethyl]-2-[3-[3-[[4-[2-(2-acetamidoethylamino)ethyl-[2-(3-methylphenyl)ethyl]carbamoyl]-2-pyridinyl]amino]-2-methylphenyl]-2-methylanilino]-N-[2-(3-cyanophenyl)ethyl]pyridine-4-carboxamide;N-[2-[[2-[2-methyl-3-[2-methyl-3-[6-[[2-(prop-1-en-2-ylamino)ethylamino]methyl]indolizin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]ethyl]acetamide.
| Compound Name | N-[2-(2-acetamidoethylamino)ethyl]-2-[[3-[3-[[3-[2-(2-acetamidoethylamino)ethyl-[2-(3-cyanophenyl)ethyl]carbamoyl]-2-pyridinyl]methyl]-2-methylphenyl]-2-methylphenyl]methyl]-N-[2-(3-cyanophenyl)ethyl]pyridine-3-carboxamide;N-[2-(2-acetamidoethylamino)ethyl]-2-[3-[3-[[4-[2-(2-acetamidoethylamino)ethyl-[2-(3-methylphenyl)ethyl]carbamoyl]-2-pyridinyl]amino]-2-methylphenyl]-2-methylanilino]-N-[2-(3-cyanophenyl)ethyl]pyridine-4-carboxamide;N-[2-[[2-[2-methyl-3-[2-methyl-3-[6-[[2-(prop-1-en-2-ylamino)ethylamino]methyl]indolizin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]ethyl]acetamide |
|---|---|
| PubChem CID | 158981518 |
| Molecular Formula | C154H174N28O9 |
| Molecular Weight | 2561.27 g/mol |
| Exact Mass | 2559.40 |
| IUPAC Name | N-[2-(2-acetamidoethylamino)ethyl]-2-[[3-[3-[[3-[2-(2-acetamidoethylamino)ethyl-[2-(3-cyanophenyl)ethyl]carbamoyl]-2-pyridinyl]methyl]-2-methylphenyl]-2-methylphenyl]methyl]-N-[2-(3-cyanophenyl)ethyl]pyridine-3-carboxamide;N-[2-(2-acetamidoethylamino)ethyl]-2-[3-[3-[[4-[2-(2-acetamidoethylamino)ethyl-[2-(3-methylphenyl)ethyl]carbamoyl]-2-pyridinyl]amino]-2-methylphenyl]-2-methylanilino]-N-[2-(3-cyanophenyl)ethyl]pyridine-4-carboxamide;N-[2-[[2-[2-methyl-3-[2-methyl-3-[6-[[2-(prop-1-en-2-ylamino)ethylamino]methyl]indolizin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]ethyl]acetamide |
| SMILES | C=C(C)NCCNCc1ccc2cc(-c3cccc(-c4cccc(-c5cn6cc(CNCCNC(C)=O)ccc6n5)c4C)c3C)cn2c1.CC(=O)NCCNCCN(CCc1cccc(C#N)c1)C(=O)c1cccnc1Cc1cccc(-c2cccc(Cc3ncccc3C(=O)N(CCNCCNC(C)=O)CCc3cccc(C#N)c3)c2C)c1C.CC(=O)NCCNCCN(CCc1cccc(C)c1)C(=O)c1ccnc(Nc2cccc(-c3cccc(Nc4cc(C(=O)N(CCNCCNC(C)=O)CCc5cccc(C#N)c5)ccn4)c3C)c2C)c1 |
| InChI | InChI=1S/C58H64N10O4.C56H65N11O4.C40H45N7O/c1-41-49(37-55-53(19-9-23-65-55)57(71)67(33-29-61-25-27-63-43(3)69)31-21-45-11-5-13-47(35-45)39-59)15-7-17-51(41)52-18-8-16-50(42(52)2)38-56-54(20-10-24-66-56)58(72)68(34-30-62-26-28-64-44(4)70)32-22-46-12-6-14-48(36-46)40-60;1-39-10-6-11-44(34-39)20-30-66(32-28-58-24-26-60-42(4)68)55(70)47-18-22-62-53(36-47)64-51-16-8-14-49(40(51)2)50-15-9-17-52(41(50)3)65-54-37-48(19-23-63-54)56(71)67(33-29-59-25-27-61-43(5)69)31-21-45-12-7-13-46(35-45)38-57;1-27(2)43-18-16-41-21-31-12-14-34-20-33(25-46(34)23-31)35-8-6-9-36(28(35)3)37-10-7-11-38(29(37)4)39-26-47-24-32(13-15-40(47)45-39)22-42-17-19-44-30(5)48/h5-20,23-24,35-36,61-62H,21-22,25-34,37-38H2,1-4H3,(H,63,69)(H,64,70);6-19,22-23,34-37,58-59H,20-21,24-33H2,1-5H3,(H,60,68)(H,61,69)(H,62,64)(H,63,65);6-15,20,23-26,41-43H,1,16-19,21-22H2,2-5H3,(H,44,48) |
| InChIKey | JPBHJGXOXQTROQ-UHFFFAOYSA-N |
| XLogP | 20.40 |
| TPSA | 479.65 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2561.27 |
| LogP ≤ 5 | 20.40 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|