C153H193FN20O11S4 — CID 159517772
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide (PubChem CID 159517772) has the molecular formula C153H193FN20O11S4 and a molecular weight of 2635.62 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide.
| Compound Name | 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide |
|---|---|
| PubChem CID | 159517772 |
| Molecular Formula | C153H193FN20O11S4 |
| Molecular Weight | 2635.62 g/mol |
| Exact Mass | 2633.40 |
| IUPAC Name | 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide |
| SMILES | CC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccnn1.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C |
| InChI | InChI=1S/C13H15NO.2C12H13N.C12H14.C11H14N2.C11H13N.C10H14N2O.C10H12N2.C10H15NO2S.C9H9FN2.C9H12N2O.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)9-8(10)3-7(4-11)5-12-9;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3,5-6H,1-2H3;3-6H,1-2H3,(H2,10,12);3*4-7H,1-3H3;3-6H,1-2H3 |
| InChIKey | MBKNOXMSJDQOSJ-UHFFFAOYSA-N |
| XLogP | 34.72 |
| TPSA | 480.61 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2635.62 |
| LogP ≤ 5 | 34.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |