4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C20H25N7O3 — CID 16722971

About 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 16722971) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 16722971
• Molecular Formula: C20H25N7O3
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.20
• IUPAC Name: 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3(CN)CC3)c21
• InChI: InChI=1S/C20H25N7O3/c1-4-27-16-13(29-11-20(10-21)7-8-20)9-23-12(5-6-19(2,3)28)14(16)24-18(27)15-17(22)26-30-25-15/h9,28H,4,7-8,10-11,21H2,1-3H3,(H2,22,26)
• InChIKey: CCGZYVVLZBOBNA-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 151.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 16722971) is 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3(CN)CC3)c21.

What is the InChIKey of 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is CCGZYVVLZBOBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-4-27-16-13(29-11-20(10-21)7-8-20)9-23-12(5-6-19(2,3)28)14(16)24-18(27)15-17(22)26-30-25-15/h9,28H,4,7-8,10-11,21H2,1-3H3,(H2,22,26).

What are the key properties of 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 411.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 16722971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).