5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline

C148H190F5N19O6S2 — CID 158134787

IUPAC5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1cc(F)ccc1-c1cc2cccnc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1
InChIInChI=1S/C18H28N2.C18H22N2.C17H22FN3.C17H17FN2.C15H20O.C14H18F2O2S.C14H17FN2.C13H17N3S.C13H17NO.C9H12N4O2/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-17(2,3)14-10-12(18)6-7-13(14)15-9-11-5-4-8-19-16(11)20-15;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-10H,1-3H3,(H,19,20);4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;5-9H,1-4H3;6-7H,1-5H3;5-9H,1-4H3;1-4H3
InChIKeyFTFHMFXBGJIFKZ-UHFFFAOYSA-N
MW2490.40 g/mol
LogP37.31
Rot. Bonds9

About 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline

5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 158134787) has the molecular formula C148H190F5N19O6S2 and a molecular weight of 2490.40 g/mol. Its IUPAC name is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID158134787
Molecular FormulaC148H190F5N19O6S2
Molecular Weight2490.40 g/mol
Exact Mass2488.45
IUPAC Name5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1cc(F)ccc1-c1cc2cccnc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1
InChIInChI=1S/C18H28N2.C18H22N2.C17H22FN3.C17H17FN2.C15H20O.C14H18F2O2S.C14H17FN2.C13H17N3S.C13H17NO.C9H12N4O2/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-17(2,3)14-10-12(18)6-7-13(14)15-9-11-5-4-8-19-16(11)20-15;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-10H,1-3H3,(H,19,20);4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;5-9H,1-4H3;6-7H,1-5H3;5-9H,1-4H3;1-4H3
InChIKeyFTFHMFXBGJIFKZ-UHFFFAOYSA-N
XLogP37.31
TPSA282.99 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002490.40
LogP ≤ 537.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 157070931
2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;1-tert-butyl-2,3-dihydroindolizine;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 157515138
dibenzothiophene;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-(3-fluorophenyl)-1,3-thiazole;1-hydroxypyridin-1-ium;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157538049
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;3,5-ditert-butyl-1-ethyl-3H-indol-2-one;methane
CID 157572901
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 157616775
2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 157632711
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157757841
4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-cyclopropylpyridine;2,3-dihydro-1-benzofuran;hexadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;isoquinoline;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;3-phenylpyridine;bis(2-piperidin-1-ylpyridine);2-propyl-1H-imidazo[4,5-b]pyridine;2-pyrrolidin-1-ylpyridine;quinoline
CID 157921446
3aH-benzotriazole;1-(3-chlorophenyl)pyrazole;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-(3-fluorophenyl)-1,3-thiazole;1-hydroxypyridin-1-ium;1H-imidazo[4,5-b]pyridine;isoquinoline;2-(2-methoxyethoxy)pyridine;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;2-methylthiophene;2-phenylpyrimidine;2-piperidin-1-yl-1,3-thiazole;pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;[1,2,4]triazolo[4,3-a]pyridine
CID 157971129
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 158064410
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;methane
CID 158114901
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 158121770

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline (CID 158134787) is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline is CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)c1cc(F)ccc1-c1cc2cccnc2[nH]1.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.
What is the InChIKey of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is FTFHMFXBGJIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C17H17FN2.C15H20O.C14H18F2O2S.C14H17FN2.C13H17N3S.C13H17NO.C9H12N4O2/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-17(2,3)14-10-12(18)6-7-13(14)15-9-11-5-4-8-19-16(11)20-15;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;4-10H,1-3H3,(H,19,20);4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;5-9H,1-4H3;6-7H,1-5H3;5-9H,1-4H3;1-4H3.
What are the key properties of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 2490.40 g/mol, XLogP of 37.31, 9 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;2-(2-tert-butyl-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).