N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C116H159F2N49O6S — CID 161090766

About N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 161090766) has the molecular formula C116H159F2N49O6S and a molecular weight of 2405.95 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
• PubChem CID: 161090766
• Molecular Formula: C116H159F2N49O6S
• Molecular Weight: 2405.95 g/mol
• Exact Mass: 2404.33
• IUPAC Name: N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
• SMILES: CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ncnc2c1ncn2C(C)C.CCOc1nc(N)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C11H17N5.C11H16N4O.C11H16N4.C10H15N5O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.C9H11N3O.C8H9FN4O.C8H11N5/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)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;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h6-8H,4-5H2,1-3H3,(H,12,13,14);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;5-6H,4H2,1-3H3,(H2,11,13,14);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);3-5H,9H2,1-2H3
• InChIKey: UHDILEVPNTUOQO-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 659.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.95
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The IUPAC name of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 161090766) is N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

What is the SMILES notation for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The canonical SMILES for N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(N)ccnn12.CC(C)c1nnc2n1C=CCC2=O.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ccnc21.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ncnc2c1ncn2C(C)C.CCOc1nc(N)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.

What is the InChIKey of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The InChIKey is UHDILEVPNTUOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.C11H16N4O.C11H16N4.C10H15N5O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.C9H11N3O.C8H9FN4O.C8H11N5/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)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;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)8-10-11-9-7(13)4-3-5-12(8)9;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8/h6-8H,4-5H2,1-3H3,(H,12,13,14);3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-8H,1-4H3;5-6H,4H2,1-3H3,(H2,11,13,14);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3,5-6H,4H2,1-2H3;3-4H,1-2H3,(H,11,12,14);3-5H,9H2,1-2H3.

What are the key properties of N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 2405.95 g/mol, XLogP of 19.41, 24 rotatable bonds, 8 hydrogen bond donors, and 54 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;6-ethoxy-9-propan-2-ylpurin-2-amine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-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;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 161090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).