4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane

C89H110N28O8 — CID 161495079

About 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane

4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane (PubChem CID 161495079) has the molecular formula C89H110N28O8 and a molecular weight of 1700.05 g/mol. Its IUPAC name is 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane.

Molecular Properties

• Compound Name: 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane
• PubChem CID: 161495079
• Molecular Formula: C89H110N28O8
• Molecular Weight: 1700.05 g/mol
• Exact Mass: 1698.91
• IUPAC Name: 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane
• SMILES: C.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OCCNC)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OC[C@@H](N)c3ccccc3)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)c3ccccc3)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CCCN3)c21
• InChI: InChI=1S/2C24H27N7O2.C21H27N7O2.C19H25N7O2.CH4/c2*1-4-31-18-12-19(33-13-16(25)15-8-6-5-7-9-15)29-17(10-11-24(2,3)32)20(18)30-23(31)21-22(26)28-14-27-21;1-4-28-18-15(30-11-13-6-5-9-23-13)10-24-14(7-8-21(2,3)29)16(18)27-20(28)17-19(22)26-12-25-17;1-5-26-13-10-14(28-9-8-21-4)24-12(6-7-19(2,3)27)15(13)25-18(26)16-17(20)23-11-22-16;/h2*5-9,12,16,32H,4,13-14,25H2,1-3H3,(H2,26,28);10,13,23,29H,4-6,9,11-12H2,1-3H3,(H2,22,26);10,21,27H,5,8-9,11H2,1-4H3,(H2,20,23);1H4/t2*16-;13-;;/m100../s1
• InChIKey: WGBZQDURAFKOMY-OLAFLMKJSA-N
• XLogP: 5.29
• TPSA: 519.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.05
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane?

The IUPAC name of 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane (CID 161495079) is 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane.

What is the SMILES notation for 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane?

The canonical SMILES for 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane is C.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OCCNC)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OC[C@@H](N)c3ccccc3)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)c3ccccc3)cc21.CCn1c(C2=NCN=C2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CCCN3)c21.

What is the InChIKey of 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane?

The InChIKey is WGBZQDURAFKOMY-OLAFLMKJSA-N. The full InChI is InChI=1S/2C24H27N7O2.C21H27N7O2.C19H25N7O2.CH4/c2*1-4-31-18-12-19(33-13-16(25)15-8-6-5-7-9-15)29-17(10-11-24(2,3)32)20(18)30-23(31)21-22(26)28-14-27-21;1-4-28-18-15(30-11-13-6-5-9-23-13)10-24-14(7-8-21(2,3)29)16(18)27-20(28)17-19(22)26-12-25-17;1-5-26-13-10-14(28-9-8-21-4)24-12(6-7-19(2,3)27)15(13)25-18(26)16-17(20)23-11-22-16;/h2*5-9,12,16,32H,4,13-14,25H2,1-3H3,(H2,26,28);10,13,23,29H,4-6,9,11-12H2,1-3H3,(H2,22,26);10,21,27H,5,8-9,11H2,1-4H3,(H2,20,23);1H4/t2*16-;13-;;/m100../s1.

What are the key properties of 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane?

4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane has a molecular weight of 1700.05 g/mol, XLogP of 5.29, 23 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2R)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-6-[(2S)-2-amino-2-phenylethoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-6-[2-(methylamino)ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;4-[2-(5-amino-2H-imidazol-4-yl)-1-ethyl-7-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;methane is sourced from PubChem (CID 161495079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).