2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole

C140H193N23O2S — CID 159327624

About 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole

2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 159327624) has the molecular formula C140H193N23O2S and a molecular weight of 2262.31 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
• PubChem CID: 159327624
• Molecular Formula: C140H193N23O2S
• Molecular Weight: 2262.31 g/mol
• Exact Mass: 2260.54
• IUPAC Name: 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
• SMILES: CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2n(n1)CCCO2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1n[nH]c2c1CCC2.CC(C)(C)c1n[nH]c2c1CCCC2.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C17H23N.C13H16O.C12H17N3.C12H16N2.C12H14S.C11H16N4.2C11H14N2.C11H18N2.C10H13N3.C10H16N2O.C10H16N2/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-7-6-8(2)15-10(12-7)13-9(14-15)11(3,4)5;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-10(2,3)8-7-9-12(11-8)5-4-6-13-9;1-10(2,3)9-7-5-4-6-8(7)11-12-9/h6-9,11-12H,10H2,1-5H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;6H,1-5H3;2*4-7H,1-3H3,(H,12,13);4-7H2,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3;4-6H2,1-3H3,(H,11,12)
• InChIKey: LEOHJDRBXBVTGR-UHFFFAOYSA-N
• XLogP: 33.86
• TPSA: 304.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 2
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.31
LogP ≤ 5	33.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?

The IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (CID 159327624) is 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole.

What is the SMILES notation for 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?

The canonical SMILES for 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole is CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2n(n1)CCCO2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1n[nH]c2c1CCC2.CC(C)(C)c1n[nH]c2c1CCCC2.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21.

What is the InChIKey of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?

The InChIKey is LEOHJDRBXBVTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C13H16O.C12H17N3.C12H16N2.C12H14S.C11H16N4.2C11H14N2.C11H18N2.C10H13N3.C10H16N2O.C10H16N2/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-7-6-8(2)15-10(12-7)13-9(14-15)11(3,4)5;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-10(2,3)8-7-9-12(11-8)5-4-6-13-9;1-10(2,3)9-7-5-4-6-8(7)11-12-9/h6-9,11-12H,10H2,1-5H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;6H,1-5H3;2*4-7H,1-3H3,(H,12,13);4-7H2,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3;4-6H2,1-3H3,(H,11,12).

What are the key properties of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?

2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 2262.31 g/mol, XLogP of 33.86, 2 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 159327624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).