3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C226H279F7N32O13S4 — CID 159817162

IUPAC3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C13H15NO.C12H16N4.C12H15N3O.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.2C10H12N2.C10H15NO2S.C9H9FN2.2C9H11F.C9H12N2O.C9H10N2.2C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4-6,8H,7H2,1-3H3;3,5-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3
InChIKeyNLTISUWPQLGNAK-UHFFFAOYSA-N
MW3913.18 g/mol
LogP55.17
Rot. Bonds33

About 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159817162) has the molecular formula C226H279F7N32O13S4 and a molecular weight of 3913.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID159817162
Molecular FormulaC226H279F7N32O13S4
Molecular Weight3913.18 g/mol
Exact Mass3910.09
IUPAC Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C13H15NO.C12H16N4.C12H15N3O.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.2C10H12N2.C10H15NO2S.C9H9FN2.2C9H11F.C9H12N2O.C9H10N2.2C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4-6,8H,7H2,1-3H3;3,5-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3
InChIKeyNLTISUWPQLGNAK-UHFFFAOYSA-N
XLogP55.17
TPSA647.54 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003913.18
LogP ≤ 555.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 157147340
3,5-Dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 157842447
CID 158162477
CID 158162477
3,5-Dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 158208828
3,5-Dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 158450050
3,5-Dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 161118632
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)propanamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157578514
CID 158996594
CID 158996594
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159936389
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 160438197
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 161076108
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;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;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 161097392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 159817162) is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1.
What is the InChIKey of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NLTISUWPQLGNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H16N4.C12H15N3O.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.2C10H12N2.C10H15NO2S.C9H9FN2.2C9H11F.C9H12N2O.C9H10N2.2C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4-6,8H,7H2,1-3H3;3,5-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3913.18 g/mol, XLogP of 55.17, 33 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159817162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).