N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone

C112H156N40O4 — CID 157285805

About N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone (PubChem CID 157285805) has the molecular formula C112H156N40O4 and a molecular weight of 2126.76 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

• Compound Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone
• PubChem CID: 157285805
• Molecular Formula: C112H156N40O4
• Molecular Weight: 2126.76 g/mol
• Exact Mass: 2125.32
• IUPAC Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone
• SMILES: CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.Cc1ccnc2c1ncn2C(C)C
• InChI: InChI=1S/C11H16N4.C11H14N2.C10H15N5O.C10H15N5.3C10H13N3.C10H12N2.C9H12N4.C8H12N2O.C7H11N3O.C6H10N4O/c1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-7(6(3)11)8-9-10;1-4(2)10-3-8-6(9-10)5(7)11/h5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);5-7H,1-4H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;4-5H,1-3H3;3-4H,1-2H3,(H2,7,11)
• InChIKey: BAFIXQHNQXKUHB-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 544.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.76
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone?

The IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone (CID 157285805) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone.

What is the SMILES notation for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone?

The canonical SMILES for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone is CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.Cc1ccnc2c1ncn2C(C)C.

What is the InChIKey of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone?

The InChIKey is BAFIXQHNQXKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.C11H14N2.C10H15N5O.C10H15N5.3C10H13N3.C10H12N2.C9H12N4.C8H12N2O.C7H11N3O.C6H10N4O/c1-8(2)15-7-13-10-9(14(3)4)5-6-12-11(10)15;1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-7(6(3)11)8-9-10;1-4(2)10-3-8-6(9-10)5(7)11/h5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);5-7H,1-4H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;4-5H,1-3H3;3-4H,1-2H3,(H2,7,11).

What are the key properties of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone?

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 2126.76 g/mol, XLogP of 20.24, 20 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 157285805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).