C232H224ClN31O22 — CID 159760678
2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide (PubChem CID 159760678) has the molecular formula C232H224ClN31O22 and a molecular weight of 3833.99 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide.
| Compound Name | 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide |
|---|---|
| PubChem CID | 159760678 |
| Molecular Formula | C232H224ClN31O22 |
| Molecular Weight | 3833.99 g/mol |
| Exact Mass | 3830.71 |
| IUPAC Name | 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide |
| SMILES | CCNC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21 |
| InChI | InChI=1S/C26H30N4O3.C26H23N3O2.C25H20ClN3O2.C25H21N3O2.2C22H21N3O2.2C22H23N3O2.C21H21N3O3.C21H21N3O2/c1-3-30-24-17-21(32-2)9-10-22(24)23(18-27)25(30)19-5-7-20(8-6-19)26(31)28-11-4-12-29-13-15-33-16-14-29;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20;1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-6-17(7-5-16)25(30)28-19-10-8-18(26)9-11-19;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-3-25-20-13-17(27-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-4-12-24;1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-4-6-15(7-5-14)22(26)24-16-8-9-16;1-5-25-20-12-17(27-4)10-11-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3;1-3-24-19-12-16(27-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)21(26)23-10-11-25;1-4-23-21(25)15-8-6-14(7-9-15)20-18(13-22)17-11-10-16(26-3)12-19(17)24(20)5-2/h5-10,17H,3-4,11-16H2,1-2H3,(H,28,31);5-15H,4H2,1-3H3,(H,28,30);4-14H,3H2,1-2H3,(H,28,30);4-15H,3H2,1-2H3,(H,27,29);5-10,13H,3-4,11-12H2,1-2H3;4-7,10-12,16H,3,8-9H2,1-2H3,(H,24,26);2*6-12,14H,5H2,1-4H3,(H,24,26);4-9,12,25H,3,10-11H2,1-2H3,(H,23,26);6-12H,4-5H2,1-3H3,(H,23,25) |
| InChIKey | NEVLAHQFGATOKO-UHFFFAOYSA-N |
| XLogP | 45.20 |
| TPSA | 694.41 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 286 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3833.99 |
| LogP ≤ 5 | 45.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 43 |