2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine

C150H178N30O16S3 — CID 157321588

IUPAC2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine
SMILESCC(C)C1=NN=C(c2cccnc2)C1.CC(C)C1CC(c2cnn(C)c2)=NO1.CC(C)c1ccc2c(c1)C(=O)N(C)C2=O.CC(C)c1ccc2c(c1)C(=O)N(CCO)C2=O.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CCN2S(C)(=O)=O.CC(C)c1cn2ccc(C#N)cc2n1.CC(C)c1nnn(-c2nonc2N)c1-c1ccccc1.CCN1C(=O)c2ccc(C(C)C)cc2C1=O.Cc1c(C(C)C)nnn1-c1nonc1N.Cc1nc(-c2cccnc2)sc1C(C)C.Cc1nc(-c2ccncc2)sc1C(C)C
InChIInChI=1S/C13H14N6O.C13H15NO3.C13H15NO2.2C12H14N2S.C12H17NO2S.C12H13NO2.C12H14O2.C11H11N3.C11H13N3.C11H11NO2.C10H15N3O.C8H12N6O/c1-8(2)10-11(9-6-4-3-5-7-9)19(18-15-10)13-12(14)16-20-17-13;1-8(2)9-3-4-10-11(7-9)13(17)14(5-6-15)12(10)16;1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13(14)16;1-8(2)11-9(3)14-12(15-11)10-4-6-13-7-5-10;1-8(2)11-9(3)14-12(15-11)10-5-4-6-13-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)16(3,14)15;1-7(2)8-4-5-9-10(6-8)12(15)13(3)11(9)14;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-8(2)10-7-14-4-3-9(6-12)5-11(14)13-10;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)10-4-9(12-14-10)8-5-11-13(3)6-8;1-4(2)6-5(3)14(13-10-6)8-7(9)11-15-12-8/h3-8H,1-2H3,(H2,14,16);3-4,7-8,15H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-7H,1-3H3;3-5,8H,6-7H2,1-2H3;3-5,7-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);5-7,10H,4H2,1-3H3;4H,1-3H3,(H2,9,11)
InChIKeyBEFODIDXHIUNQT-UHFFFAOYSA-N
MW2753.47 g/mol
LogP28.15
Rot. Bonds24

About 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine

2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine (PubChem CID 157321588) has the molecular formula C150H178N30O16S3 and a molecular weight of 2753.47 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine
PubChem CID157321588
Molecular FormulaC150H178N30O16S3
Molecular Weight2753.47 g/mol
Exact Mass2751.32
IUPAC Name2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine
SMILESCC(C)C1=NN=C(c2cccnc2)C1.CC(C)C1CC(c2cnn(C)c2)=NO1.CC(C)c1ccc2c(c1)C(=O)N(C)C2=O.CC(C)c1ccc2c(c1)C(=O)N(CCO)C2=O.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CCN2S(C)(=O)=O.CC(C)c1cn2ccc(C#N)cc2n1.CC(C)c1nnn(-c2nonc2N)c1-c1ccccc1.CCN1C(=O)c2ccc(C(C)C)cc2C1=O.Cc1c(C(C)C)nnn1-c1nonc1N.Cc1nc(-c2cccnc2)sc1C(C)C.Cc1nc(-c2ccncc2)sc1C(C)C
InChIInChI=1S/C13H14N6O.C13H15NO3.C13H15NO2.2C12H14N2S.C12H17NO2S.C12H13NO2.C12H14O2.C11H11N3.C11H13N3.C11H11NO2.C10H15N3O.C8H12N6O/c1-8(2)10-11(9-6-4-3-5-7-9)19(18-15-10)13-12(14)16-20-17-13;1-8(2)9-3-4-10-11(7-9)13(17)14(5-6-15)12(10)16;1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13(14)16;1-8(2)11-9(3)14-12(15-11)10-4-6-13-7-5-10;1-8(2)11-9(3)14-12(15-11)10-5-4-6-13-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)16(3,14)15;1-7(2)8-4-5-9-10(6-8)12(15)13(3)11(9)14;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-8(2)10-7-14-4-3-9(6-12)5-11(14)13-10;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)10-4-9(12-14-10)8-5-11-13(3)6-8;1-4(2)6-5(3)14(13-10-6)8-7(9)11-15-12-8/h3-8H,1-2H3,(H2,14,16);3-4,7-8,15H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-7H,1-3H3;3-5,8H,6-7H2,1-2H3;3-5,7-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);5-7,10H,4H2,1-3H3;4H,1-3H3,(H2,9,11)
InChIKeyBEFODIDXHIUNQT-UHFFFAOYSA-N
XLogP28.15
TPSA603.19 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002753.47
LogP ≤ 528.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine with MolForge

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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
4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159389416
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;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;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;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 161002840
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;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;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 161126406
2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;1-(4-methyl-3-propan-2-ylphenyl)tetrazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylnaphthalene-1,7-diol;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyrimidine
CID 161251780
2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;7-methyl-6-propan-2-ylnaphthalen-1-ol;1-(4-methyl-3-propan-2-ylphenyl)tetrazole;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-propan-2-ylisoindole-1,3-dione;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyrimidine
CID 161424695

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine?
The IUPAC name of 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine (CID 157321588) is 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine?
The canonical SMILES for 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine is CC(C)C1=NN=C(c2cccnc2)C1.CC(C)C1CC(c2cnn(C)c2)=NO1.CC(C)c1ccc2c(c1)C(=O)N(C)C2=O.CC(C)c1ccc2c(c1)C(=O)N(CCO)C2=O.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CCN2S(C)(=O)=O.CC(C)c1cn2ccc(C#N)cc2n1.CC(C)c1nnn(-c2nonc2N)c1-c1ccccc1.CCN1C(=O)c2ccc(C(C)C)cc2C1=O.Cc1c(C(C)C)nnn1-c1nonc1N.Cc1nc(-c2cccnc2)sc1C(C)C.Cc1nc(-c2ccncc2)sc1C(C)C.
What is the InChIKey of 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine?
The InChIKey is BEFODIDXHIUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O.C13H15NO3.C13H15NO2.2C12H14N2S.C12H17NO2S.C12H13NO2.C12H14O2.C11H11N3.C11H13N3.C11H11NO2.C10H15N3O.C8H12N6O/c1-8(2)10-11(9-6-4-3-5-7-9)19(18-15-10)13-12(14)16-20-17-13;1-8(2)9-3-4-10-11(7-9)13(17)14(5-6-15)12(10)16;1-4-14-12(15)10-6-5-9(8(2)3)7-11(10)13(14)16;1-8(2)11-9(3)14-12(15-11)10-4-6-13-7-5-10;1-8(2)11-9(3)14-12(15-11)10-5-4-6-13-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)16(3,14)15;1-7(2)8-4-5-9-10(6-8)12(15)13(3)11(9)14;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-8(2)10-7-14-4-3-9(6-12)5-11(14)13-10;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)10-4-9(12-14-10)8-5-11-13(3)6-8;1-4(2)6-5(3)14(13-10-6)8-7(9)11-15-12-8/h3-8H,1-2H3,(H2,14,16);3-4,7-8,15H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*4-8H,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-7H,1-3H3;3-5,8H,6-7H2,1-2H3;3-5,7-8H,1-2H3;3-5,7-8H,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);5-7,10H,4H2,1-3H3;4H,1-3H3,(H2,9,11).
What are the key properties of 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine?
2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine has a molecular weight of 2753.47 g/mol, XLogP of 28.15, 24 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-ylisoindole-1,3-dione;2-(2-hydroxyethyl)-5-propan-2-ylisoindole-1,3-dione;2-methyl-5-propan-2-ylisoindole-1,3-dione;4-methyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-methyl-5-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;3-(1-methylpyrazol-4-yl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;6-propan-2-yl-4H-chromen-3-one;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;5-propan-2-ylisoindole-1,3-dione;3-(5-propan-2-yl-4H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 157321588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).