3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
C170H212Cl2F4N14O12S — CID 159957534
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline (PubChem CID 159957534) has the molecular formula C170H212Cl2F4N14O12S and a molecular weight of 2822.62 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline.
Molecular Properties
| Compound Name | 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline |
|---|---|
| PubChem CID | 159957534 |
| Molecular Formula | C170H212Cl2F4N14O12S |
| Molecular Weight | 2822.62 g/mol |
| Exact Mass | 2819.54 |
| IUPAC Name | 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline |
| SMILES | C/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccccc2s1.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.CCc1cccc(CC(=O)C(C)C)c1.COc1ccc(C(C)C)cc1OC.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C |
| InChI | InChI=1S/C13H14F4O2.C13H17N3.C13H14N2O2.2C13H17NO.C13H18O.C12H16N2.C12H17NO2.C12H13N.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-8(2)11(18)7-9-4-3-5-10(6-9)19-13(16,17)12(14)15;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-4-15-11-7-5-6-10(8-11)13-12(14)9(2)3;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)9-11(3)12-7-5-4-6-8-12;1-7(2)11(14)6-8-5-9(12)3-4-10(8)13;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);5-8,10H,4,9H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;8-7+;;;;;11-9+;;;; |
| InChIKey | OCXDTQUSQSLCMA-GBTZRRHMSA-N |
| XLogP | 45.03 |
| TPSA | 307.75 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 203 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2822.62 |
| LogP ≤ 5 | 45.03 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 24 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159957534 — identifiers, structure, computed properties (public domain)
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