2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole

C218H282ClN29O3S — CID 159614474

IUPAC2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(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)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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
InChIInChI=1S/C17H23N.C14H16.C13H14ClN.C13H15NO.2C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.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;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;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)10-7-6-9-5-4-8-13-11(9)14-10;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;4-10H,1-3H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;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)
InChIKeyMNCNGUBJPVWBSS-UHFFFAOYSA-N
MW3424.37 g/mol
LogP55.00
Rot. Bonds2

About 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 159614474) has the molecular formula C218H282ClN29O3S and a molecular weight of 3424.37 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID159614474
Molecular FormulaC218H282ClN29O3S
Molecular Weight3424.37 g/mol
Exact Mass3421.22
IUPAC Name2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(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)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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
InChIInChI=1S/C17H23N.C14H16.C13H14ClN.C13H15NO.2C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.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;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;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)10-7-6-9-5-4-8-13-11(9)14-10;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;4-10H,1-3H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;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)
InChIKeyMNCNGUBJPVWBSS-UHFFFAOYSA-N
XLogP55.00
TPSA401.70 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds2
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003424.37
LogP ≤ 555.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole (CID 159614474) is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is MNCNGUBJPVWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H16.C13H14ClN.C13H15NO.2C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.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;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;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)10-7-6-9-5-4-8-13-11(9)14-10;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;4-10H,1-3H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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 3424.37 g/mol, XLogP of 55.00, 2 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;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-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;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-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;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 159614474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).