3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
C124H180N26O3S2 — CID 158054097
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 158054097) has the molecular formula C124H180N26O3S2 and a molecular weight of 2147.12 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.
Molecular Properties
| Compound Name | 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide |
|---|---|
| PubChem CID | 158054097 |
| Molecular Formula | C124H180N26O3S2 |
| Molecular Weight | 2147.12 g/mol |
| Exact Mass | 2145.42 |
| IUPAC Name | 3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide |
| SMILES | CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21.Cc1cnn2c1CCC2 |
| InChI | InChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S.C7H10N2/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9;1-6-5-8-9-4-2-3-7(6)9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11);5H,2-4H2,1H3 |
| InChIKey | FJVHZEDTGJGIGF-UHFFFAOYSA-N |
| XLogP | 28.07 |
| TPSA | 328.29 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 155 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2147.12 |
| LogP ≤ 5 | 28.07 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |
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Sources
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