2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole

C187H250N24O7S — CID 158314417

IUPAC2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
SMILESC=C1Cc2ccc(C(C)(C)C)cc2N1.C=C1Nc2cc(C(C)(C)C)ccc2O1.C=C1Nc2cc(C(C)(C)C)ncc2O1.C=C1Nc2nc(C(C)(C)C)ccc2O1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.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)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC2=O.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H17N.3C13H16O.C12H17N3.C12H16N2.C12H15NO.C12H19N.C12H14S.C11H16N4.2C11H14N2O.C11H14N2.C11H17N.C10H13N3.C10H16N2O/c1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;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;1-7-13-8-5-10(11(2,3)4)12-6-9(8)14-7;1-7-12-10-8(14-7)5-6-9(13-10)11(2,3)4;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;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/h5-6,8,14H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8H2,1-3H3;4-8H,1-3H3;6H,1-5H3;5-6,13H,1H2,2-4H3;5-6H,1H2,2-4H3,(H,12,13);4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyGOBWZKGYBRIMQK-UHFFFAOYSA-N
MW2978.28 g/mol
LogP46.07
Rot. Bonds

About 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole

2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole (PubChem CID 158314417) has the molecular formula C187H250N24O7S and a molecular weight of 2978.28 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
PubChem CID158314417
Molecular FormulaC187H250N24O7S
Molecular Weight2978.28 g/mol
Exact Mass2975.97
IUPAC Name2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
SMILESC=C1Cc2ccc(C(C)(C)C)cc2N1.C=C1Nc2cc(C(C)(C)C)ccc2O1.C=C1Nc2cc(C(C)(C)C)ncc2O1.C=C1Nc2nc(C(C)(C)C)ccc2O1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.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)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC2=O.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H17N.3C13H16O.C12H17N3.C12H16N2.C12H15NO.C12H19N.C12H14S.C11H16N4.2C11H14N2O.C11H14N2.C11H17N.C10H13N3.C10H16N2O/c1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;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;1-7-13-8-5-10(11(2,3)4)12-6-9(8)14-7;1-7-12-10-8(14-7)5-6-9(13-10)11(2,3)4;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;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/h5-6,8,14H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8H2,1-3H3;4-8H,1-3H3;6H,1-5H3;5-6,13H,1H2,2-4H3;5-6H,1H2,2-4H3,(H,12,13);4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyGOBWZKGYBRIMQK-UHFFFAOYSA-N
XLogP46.07
TPSA365.91 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002978.28
LogP ≤ 546.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole with MolForge

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Related Compounds

3-methyl-5H-cyclopenta[b]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;bis(6-methyl-1H-pyrrolo[3,4-c]pyridine);2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157361556
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157485623
3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-3-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-N-methyl-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 157554412
5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;4-tert-butyl-1-methylpiperidine;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;2-tert-butylthiophene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
CID 157839987
5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;bis(6-tert-butyl-2-methylidene-1,3-dihydroindole);6-tert-butyl-2-methylidene-3H-furo[2,3-b]pyridine;6-tert-butyl-2-methylidene-3H-furo[3,2-b]pyridine;6-tert-butyl-2-methylidene-3H-furo[3,2-c]pyridine;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
CID 157840946
3-cyclopenta-1,4-dien-1-yl-N-[2-ethoxy-5-(furan-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;5-cyclopenta-1,4-dien-1-yl-N-[5-(furan-3-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-cyclopenta-1,4-dien-1-yl-N-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-cyclopenta-1,4-dien-1-yl-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 158204754
5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-3H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine;1H-pyrazolo[4,5-b]pyridine
CID 159006390
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159048060
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159272778
3-cyclopenta-1,4-dien-1-yl-N-[2-ethoxy-5-(furan-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-cyclopenta-1,4-dien-1-yl-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-cyclopenta-1,4-dien-1-yl-N-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;5-[3-[(5-cyclopenta-1,4-dien-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methoxyphenyl]thiophene-2-carbonitrile
CID 159316450
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
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;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;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine
CID 159537453

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole?
The IUPAC name of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole (CID 158314417) is 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole.
What is the SMILES notation for 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole?
The canonical SMILES for 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole is C=C1Cc2ccc(C(C)(C)C)cc2N1.C=C1Nc2cc(C(C)(C)C)ccc2O1.C=C1Nc2cc(C(C)(C)C)ncc2O1.C=C1Nc2nc(C(C)(C)C)ccc2O1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.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)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC2=O.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;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole?
The InChIKey is GOBWZKGYBRIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.3C13H16O.C12H17N3.C12H16N2.C12H15NO.C12H19N.C12H14S.C11H16N4.2C11H14N2O.C11H14N2.C11H17N.C10H13N3.C10H16N2O/c1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;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;1-7-13-8-5-10(11(2,3)4)12-6-9(8)14-7;1-7-12-10-8(14-7)5-6-9(13-10)11(2,3)4;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;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/h5-6,8,14H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6H,7-8H2,1-3H3;6-7H,1-5H3;5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8H2,1-3H3;4-8H,1-3H3;6H,1-5H3;5-6,13H,1H2,2-4H3;5-6H,1H2,2-4H3,(H,12,13);4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole?
2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole has a molecular weight of 2978.28 g/mol, XLogP of 46.07, 0 rotatable bonds, 6 hydrogen bond donors, and 30 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;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-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;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-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[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole is sourced from PubChem (CID 158314417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).