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

C124H170N42O3S — CID 158184128

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

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine (PubChem CID 158184128) has the molecular formula C124H170N42O3S and a molecular weight of 2329.08 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine
• PubChem CID: 158184128
• Molecular Formula: C124H170N42O3S
• Molecular Weight: 2329.08 g/mol
• Exact Mass: 2327.42
• IUPAC Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine
• SMILES: CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CCCNc1ccnc2c1ncn2C(C)C.CCCNc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1cccc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C12H18N4.C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H13N3O.C10H13N3S.2C10H13N3.C10H12N2.C9H13N5.C9H12N4O/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(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;1-8(2)13-7-12-11-9(3)5-4-6-10(11)13;2*1-7(2)13-6-12-9-8(14-3)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;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14/h5,7-9H,4,6H2,1-3H3,(H,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;4-8H,1-3H3;2*4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14)
• InChIKey: FYYDNGUEJFRDCZ-UHFFFAOYSA-N
• XLogP: 25.56
• TPSA: 522.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2329.08
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

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

The IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine (CID 158184128) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine.

What is the SMILES notation for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine?

The canonical SMILES for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine is CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(NCCO)ccnc21.CC(C)n1cnc2ccccc21.CCCNc1ccnc2c1ncn2C(C)C.CCCNc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1cccc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.

What is the InChIKey of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine?

The InChIKey is FYYDNGUEJFRDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.C11H17N5.C11H16N4O.C11H16N4.C11H14N2.C10H13N3O.C10H13N3S.2C10H13N3.C10H12N2.C9H13N5.C9H12N4O/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(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;1-8(2)13-7-12-11-9(3)5-4-6-10(11)13;2*1-7(2)13-6-12-9-8(14-3)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;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14/h5,7-9H,4,6H2,1-3H3,(H,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;4-8H,1-3H3;2*4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3,(H2,10,12,13);4-5H,1-3H3,(H,11,12,14).

What are the key properties of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine?

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine has a molecular weight of 2329.08 g/mol, XLogP of 25.56, 24 rotatable bonds, 8 hydrogen bond donors, and 45 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;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;4-methyl-1-propan-2-ylbenzimidazole;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine is sourced from PubChem (CID 158184128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).