2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine

C201H266F2N8O11S — CID 161253881

IUPAC2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cccc2c1CCCO2.CC(C)c1cccc2c1CCOC2.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.COc1ccc2c(c1C(C)C)CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2c(c1C(C)C)CCCO2.Cc1ccc2c(c1C(C)C)CCN(C)C2=O.Cc1ccc2c(c1C(C)C)CCNC2=O.Cc1ccc2c(c1C(C)C)CCOC2.Cc1ccc2ncncc2c1C(C)C.Cc1sc2ccccc2c1C(C)C
InChIInChI=1S/C15H22.C14H19NO.2C14H20O.2C14H20.C13H17NO.2C13H18O.C12H14N2.2C12H16O.C12H14S.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-10(3)5-6-12-11(13)7-8-15(4)14(12)16;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)4-5-11-10(12)6-7-14-13(11)15;1-9(2)13-10(3)4-5-11-8-14-7-6-12(11)13;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;2*8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,14,15);4-5,9H,6-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyVBQCQBRLMNHOGF-UHFFFAOYSA-N
MW3040.45 g/mol
LogP52.75
Rot. Bonds18

About 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 161253881) has the molecular formula C201H266F2N8O11S and a molecular weight of 3040.45 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID161253881
Molecular FormulaC201H266F2N8O11S
Molecular Weight3040.45 g/mol
Exact Mass3038.02
IUPAC Name2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cccc2c1CCCO2.CC(C)c1cccc2c1CCOC2.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.COc1ccc2c(c1C(C)C)CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2c(c1C(C)C)CCCO2.Cc1ccc2c(c1C(C)C)CCN(C)C2=O.Cc1ccc2c(c1C(C)C)CCNC2=O.Cc1ccc2c(c1C(C)C)CCOC2.Cc1ccc2ncncc2c1C(C)C.Cc1sc2ccccc2c1C(C)C
InChIInChI=1S/C15H22.C14H19NO.2C14H20O.2C14H20.C13H17NO.2C13H18O.C12H14N2.2C12H16O.C12H14S.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-10(3)5-6-12-11(13)7-8-15(4)14(12)16;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)4-5-11-10(12)6-7-14-13(11)15;1-9(2)13-10(3)4-5-11-8-14-7-6-12(11)13;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;2*8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,14,15);4-5,9H,6-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyVBQCQBRLMNHOGF-UHFFFAOYSA-N
XLogP52.75
TPSA205.25 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003040.45
LogP ≤ 552.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158383362
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
CID 160546848
3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyrimidine;5-fluoro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-2,3-dihydro-1H-indole;2-propan-2-ylpyrazine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylquinoline;4-(5-propan-2-ylthiophen-2-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161246724
2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
CID 162096092
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-amine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 167618027
1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
CID 157486796
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;3,6-dimethyl-1H-isoindole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;3-ethyl-6-methyl-1H-isoindole;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-1H-indene;5-methyl-1H-indole;5-methylpyridin-2-amine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline;1,3,6-trimethylindazole
CID 159741012
3,6-dimethyl-1H-isoindole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-1H-indene;5-methyl-1H-indole;5-methylpyridin-2-amine;N,N,3-trimethylaniline;1,3,6-trimethylindazole
CID 159788940
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 160458742
1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane
CID 167600271

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine (CID 161253881) is 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine is CC(C)c1cccc2c1CCCO2.CC(C)c1cccc2c1CCOC2.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2nonc12.CC(C)c1cccn2nccc12.COc1ccc(C(C)C)c2c1CCCC2.COc1ccc2c(c1C(C)C)CCCC2.Cc1cc(C)c(C(C)C)c2c1CCC2.Cc1cc(C)c(C(C)C)c2c1CCCC2.Cc1ccc2c(c1C(C)C)CCCC2.Cc1ccc2c(c1C(C)C)CCCO2.Cc1ccc2c(c1C(C)C)CCN(C)C2=O.Cc1ccc2c(c1C(C)C)CCNC2=O.Cc1ccc2c(c1C(C)C)CCOC2.Cc1ccc2ncncc2c1C(C)C.Cc1sc2ccccc2c1C(C)C.
What is the InChIKey of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is VBQCQBRLMNHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C14H19NO.2C14H20O.2C14H20.C13H17NO.2C13H18O.C12H14N2.2C12H16O.C12H14S.C10H10F2O2.C10H12N2.C9H10N2O/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-9(2)13-10(3)5-6-12-11(13)7-8-15(4)14(12)16;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-9(2)14-11(4)8-10(3)12-6-5-7-13(12)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-8(2)12-9(3)4-5-11-10(12)6-7-14-13(11)15;1-9(2)13-10(3)4-5-11-8-14-7-6-12(11)13;1-9(2)13-10(3)6-7-12-11(13)5-4-8-14-12;1-8(2)12-9(3)4-5-11-10(12)6-13-7-14-11;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-6(2)7-4-3-5-8-9(7)11-12-10-8/h9-10H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;2*8-10H,4-7H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,14,15);4-5,9H,6-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.
What are the key properties of 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine?
2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 3040.45 g/mol, XLogP of 52.75, 18 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 161253881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).