2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid

C20H26ClN7O5 — CID 87534666

About 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid

2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid (PubChem CID 87534666) has the molecular formula C20H26ClN7O5 and a molecular weight of 479.93 g/mol. Its IUPAC name is 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid
• PubChem CID: 87534666
• Molecular Formula: C20H26ClN7O5
• Molecular Weight: 479.93 g/mol
• Exact Mass: 479.17
• IUPAC Name: 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid
• SMILES: CCn1c(-c2nonc2N)nc2c(Cl)ncc(OCC3(C(C)(C)C)CN(C(=O)O)CCO3)c21
• InChI: InChI=1S/C20H26ClN7O5/c1-5-28-14-11(8-23-15(21)12(14)24-17(28)13-16(22)26-33-25-13)31-10-20(19(2,3)4)9-27(18(29)30)6-7-32-20/h8H,5-7,9-10H2,1-4H3,(H2,22,26)(H,29,30)
• InChIKey: SFMBFWMPLBNLSO-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 154.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.93
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid?

The IUPAC name of 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid (CID 87534666) is 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid.

What is the SMILES notation for 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid?

The canonical SMILES for 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid is CCn1c(-c2nonc2N)nc2c(Cl)ncc(OCC3(C(C)(C)C)CN(C(=O)O)CCO3)c21.

What is the InChIKey of 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid?

The InChIKey is SFMBFWMPLBNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN7O5/c1-5-28-14-11(8-23-15(21)12(14)24-17(28)13-16(22)26-33-25-13)31-10-20(19(2,3)4)9-27(18(29)30)6-7-32-20/h8H,5-7,9-10H2,1-4H3,(H2,22,26)(H,29,30).

What are the key properties of 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid?

2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid has a molecular weight of 479.93 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid is sourced from PubChem (CID 87534666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).