C151H206ClN21O17S4 — CID 162052990
2-chloro-4-(2-methylpropyl)pyridine;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide (PubChem CID 162052990) has the molecular formula C151H206ClN21O17S4 and a molecular weight of 2751.16 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide.
| Compound Name | 2-chloro-4-(2-methylpropyl)pyridine;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide |
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| PubChem CID | 162052990 |
| Molecular Formula | C151H206ClN21O17S4 |
| Molecular Weight | 2751.16 g/mol |
| Exact Mass | 2748.45 |
| IUPAC Name | 2-chloro-4-(2-methylpropyl)pyridine;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-[4-(2-methylpropyl)-2-pyridinyl]imidazolidine-2,4-dione;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide |
| SMILES | CC(C)C(C)c1ccc(-c2nn[nH]n2)s1.CC(C)Cc1ccc(C(=O)O)s1.CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1ccnc(C2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1cccs1.COC(=O)c1ccc(CC(C)C)s1 |
| InChI | InChI=1S/C15H23NO.2C14H18N2O2.C14H21NO.C13H17N3O2.C13H16N2O2.C12H15N3O2.C10H14N4S.C10H14O2S.C9H12ClN.C9H13NOS.C9H13N.C9H12O2S/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)6-9-4-5-14-10(7-9)13(3)11(17)15-12(18)16-13;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-7(2)5-8-3-4-13-9(6-8)10-11(16)15-12(17)14-10;1-6(2)7(3)8-4-5-9(15-8)10-11-13-14-12-10;1-7(2)6-8-4-5-9(13-8)10(11)12-3;1-7(2)5-8-3-4-11-9(10)6-8;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-3-4-8(12-7)9(10)11/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;4-5,7-8H,6H2,1-3H3,(H2,15,16,17,18);3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-4,6-7,10H,5H2,1-2H3,(H2,14,15,16,17);4-7H,1-3H3,(H,11,12,13,14);4-5,7H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,10,11)/t;;;;;;;;;;8-;;/m..........1../s1 |
| InChIKey | YYUIOYGSLHNJRV-WJIBWHQZSA-N |
| XLogP | 28.70 |
| TPSA | 519.86 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.16 |
| LogP ≤ 5 | 28.70 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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