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;6-tert-butylisoquinoline;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-indazole;methane

C234H346ClN29O3S — CID 162254858

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;6-tert-butylisoquinoline;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-indazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC2=C1CCC2.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)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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.C13H14ClN.C13H15NO.3C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.C12H14S.C11H16N4.2C11H14N2.C11H18N2.C11H17N.C10H13N3.C10H16N2O.16CH4/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;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)12-5-4-11-9-14-7-6-10(11)8-12;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;1-11(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;;;;;;;;;;;;;;;;/h6-9,11-12H,10H2,1-5H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);3*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);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3;16*1H4
InChIKeyZYLOSIMTVXSEJK-UHFFFAOYSA-N
MW3681.06 g/mol
LogP65.34
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;6-tert-butylisoquinoline;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-indazole;methane

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;6-tert-butylisoquinoline;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-indazole;methane (PubChem CID 162254858) has the molecular formula C234H346ClN29O3S and a molecular weight of 3681.06 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;6-tert-butylisoquinoline;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-indazole;methane.

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;6-tert-butylisoquinoline;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-indazole;methane
PubChem CID162254858
Molecular FormulaC234H346ClN29O3S
Molecular Weight3681.06 g/mol
Exact Mass3677.72
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;6-tert-butylisoquinoline;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-indazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC2=C1CCC2.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)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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.C13H14ClN.C13H15NO.3C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.C12H14S.C11H16N4.2C11H14N2.C11H18N2.C11H17N.C10H13N3.C10H16N2O.16CH4/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;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)12-5-4-11-9-14-7-6-10(11)8-12;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;1-11(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;;;;;;;;;;;;;;;;/h6-9,11-12H,10H2,1-5H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);3*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);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3;16*1H4
InChIKeyZYLOSIMTVXSEJK-UHFFFAOYSA-N
XLogP65.34
TPSA398.27 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds2
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003681.06
LogP ≤ 565.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

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;6-tert-butylisoquinoline;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-indazole;methane with MolForge

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Launch Full Analysis

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
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
CID 158355047
CID 158355047
3-methyl-5H-cyclopenta[b]pyridine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-3H-indazole;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[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;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 159152143
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
5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine
CID 159350049
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
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
5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;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;6-methyl-3H-imidazo[4,5-c]pyridine;3-methyl-1H-imidazo[4,5-c]pyridin-3-ium-4-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]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;bis(5-methyl-1H-pyrrolo[2,3-c]pyridine);6-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 159869778
CID 159903136
CID 159903136
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;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazole;bis(6-methyl-1H-indazole);5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-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-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 160289382
3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methyl-1H-imidazo[4,5-c]pyridin-3-ium-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;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;bis(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;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 160344015

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;6-tert-butylisoquinoline;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-indazole;methane?
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;6-tert-butylisoquinoline;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-indazole;methane (CID 162254858) 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;6-tert-butylisoquinoline;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-indazole;methane.
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;6-tert-butylisoquinoline;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-indazole;methane?
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;6-tert-butylisoquinoline;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-indazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC2=C1CCC2.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)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.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;6-tert-butylisoquinoline;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-indazole;methane?
The InChIKey is ZYLOSIMTVXSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C13H14ClN.C13H15NO.3C13H15N.C13H16O.C12H17N3.C12H16N2.C12H14N2.C12H14S.C11H16N4.2C11H14N2.C11H18N2.C11H17N.C10H13N3.C10H16N2O.16CH4/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;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)12-5-4-11-9-14-7-6-10(11)8-12;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;1-11(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;;;;;;;;;;;;;;;;/h6-9,11-12H,10H2,1-5H3;4-8H,1-3H3;4-8H,1-3H3,(H,14,15);3*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);4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3;16*1H4.
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;6-tert-butylisoquinoline;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-indazole;methane?
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;6-tert-butylisoquinoline;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-indazole;methane has a molecular weight of 3681.06 g/mol, XLogP of 65.34, 2 rotatable bonds, 5 hydrogen bond donors, and 28 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;6-tert-butylisoquinoline;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-indazole;methane is sourced from PubChem (CID 162254858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).