N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone

C148H204FN55O3S — CID 158581190

About N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone (PubChem CID 158581190) has the molecular formula C148H204FN55O3S and a molecular weight of 2852.71 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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone
• PubChem CID: 158581190
• Molecular Formula: C148H204FN55O3S
• Molecular Weight: 2852.71 g/mol
• Exact Mass: 2850.72
• IUPAC Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone
• SMILES: CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ncc2ncn(C(C)C)c2n1.CCCNc1ncnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1
• InChI: InChI=1S/2C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H15N5.C10H13N3S.3C10H13N3.C10H12N2.C9H13N5.C9H12N4.C8H9FN4O.C7H11N3O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-8(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)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;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;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)10-4-8-7(9-10)6(3)11/h6-8H,4-5H2,1-3H3,(H,12,13,14);6-8H,4-5H2,1-3H3,(H,12,13,15);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);3-6H,1-2H3,(H2,10,11);3-4H,1-2H3,(H,11,12,14);4-5H,1-3H3
• InChIKey: HTGQURDQHLQGIF-UHFFFAOYSA-N
• XLogP: 28.55
• TPSA: 698.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 58
• Rotatable Bonds: 28
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2852.71
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	58

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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone (CID 158581190) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone is CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ncc2ncn(C(C)C)c2n1.CCCNc1ncnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.

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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone?

The InChIKey is HTGQURDQHLQGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H15N5.C10H13N3S.3C10H13N3.C10H12N2.C9H13N5.C9H12N4.C8H9FN4O.C7H11N3O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-8(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)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;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;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)10-4-8-7(9-10)6(3)11/h6-8H,4-5H2,1-3H3,(H,12,13,14);6-8H,4-5H2,1-3H3,(H,12,13,15);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);3-6H,1-2H3,(H2,10,11);3-4H,1-2H3,(H,11,12,14);4-5H,1-3H3.

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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone?

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 2852.71 g/mol, XLogP of 28.55, 28 rotatable bonds, 10 hydrogen bond donors, and 58 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;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-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-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 158581190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).