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

C175H198N32O13S — CID 161424695

About 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

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 (PubChem CID 161424695) has the molecular formula C175H198N32O13S and a molecular weight of 2989.79 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161424695
• Molecular Formula: C175H198N32O13S
• Molecular Weight: 2989.79 g/mol
• Exact Mass: 2987.55
• IUPAC Name: 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
• SMILES: CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc2c(c1)C(=O)N(C)C2=O.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1cccc(-c2cncnc2)c1.CC(C)c1cn2cc(C#N)ccc2n1.CC(C)c1cn2ccc(C#N)cc2n1.CC(C)c1cn2ccc(C(N)=O)cc2n1.CC(C)c1cn2cccc(C(N)=O)c2n1.CCN1C(=O)c2ccc(C(C)C)cc2C1=O.Cc1c(C(C)C)nnn1-c1nonc1N.Cc1cc2c(O)cccc2cc1C(C)C.Cc1ccc(-n2cnnn2)cc1C(C)C.Cc1nc(-c2cccnc2)sc1C(C)C
• InChI: InChI=1S/C14H15N.C14H16O.C13H14N2.C13H15NO2.C12H14N2S.C12H13NO2.C12H14O2.C11H14N4.2C11H13N3O.2C11H11N3.C11H12N2O.C11H11NO2.C8H12N6O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)12-8-11-5-4-6-14(15)13(11)7-10(12)3;1-10(2)11-4-3-5-12(6-11)13-7-14-9-15-8-13;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)10-5-4-6-13-7-10;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)11-6-10(5-4-9(11)3)15-7-12-13-14-15;1-7(2)9-6-14-4-3-8(11(12)15)5-10(14)13-9;1-7(2)9-6-14-5-3-4-8(10(12)15)11(14)13-9;1-8(2)10-7-14-4-3-9(6-12)5-11(14)13-10;1-8(2)10-7-14-6-9(5-12)3-4-11(14)13-10;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-4(2)6-5(3)14(13-10-6)8-7(9)11-15-12-8/h3-11H,1-2H3;4-9,15H,1-3H3;3-10H,1-2H3;5-8H,4H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3,(H2,12,15);3-5,7-8H,1-2H3;3-4,6-8H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,12,13,14);4H,1-3H3,(H2,9,11)
• InChIKey: VXEXTOYMMKUMSB-UHFFFAOYSA-N
• XLogP: 36.61
• TPSA: 613.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2989.79
LogP ≤ 5	36.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc2c(c1)C(=O)N(C)C2=O.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1cccc(-c2cncnc2)c1.CC(C)c1cn2cc(C#N)ccc2n1.CC(C)c1cn2ccc(C#N)cc2n1.CC(C)c1cn2ccc(C(N)=O)cc2n1.CC(C)c1cn2cccc(C(N)=O)c2n1.CCN1C(=O)c2ccc(C(C)C)cc2C1=O.Cc1c(C(C)C)nnn1-c1nonc1N.Cc1cc2c(O)cccc2cc1C(C)C.Cc1ccc(-n2cnnn2)cc1C(C)C.Cc1nc(-c2cccnc2)sc1C(C)C.

What is the InChIKey of 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?

The InChIKey is VXEXTOYMMKUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C14H16O.C13H14N2.C13H15NO2.C12H14N2S.C12H13NO2.C12H14O2.C11H14N4.2C11H13N3O.2C11H11N3.C11H12N2O.C11H11NO2.C8H12N6O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)12-8-11-5-4-6-14(15)13(11)7-10(12)3;1-10(2)11-4-3-5-12(6-11)13-7-14-9-15-8-13;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)10-5-4-6-13-7-10;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)11-6-10(5-4-9(11)3)15-7-12-13-14-15;1-7(2)9-6-14-4-3-8(11(12)15)5-10(14)13-9;1-7(2)9-6-14-5-3-4-8(10(12)15)11(14)13-9;1-8(2)10-7-14-4-3-9(6-12)5-11(14)13-10;1-8(2)10-7-14-6-9(5-12)3-4-11(14)13-10;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-4(2)6-5(3)14(13-10-6)8-7(9)11-15-12-8/h3-11H,1-2H3;4-9,15H,1-3H3;3-10H,1-2H3;5-8H,4H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3,(H2,12,15);3-5,7-8H,1-2H3;3-4,6-8H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,12,13,14);4H,1-3H3,(H2,9,11).

What are the key properties of 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?

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 has a molecular weight of 2989.79 g/mol, XLogP of 36.61, 24 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161424695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).