4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C18H19N7O4S — CID 11258931

About 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11258931) has the molecular formula C18H19N7O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

• Compound Name: 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• PubChem CID: 11258931
• Molecular Formula: C18H19N7O4S
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.12
• IUPAC Name: 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
• SMILES: CS(=O)(=O)CNCCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1
• InChI: InChI=1S/C18H19N7O4S/c1-30(26,27)11-21-8-9-28-13-4-2-12(3-5-13)25-15-6-7-20-10-14(15)22-18(25)16-17(19)24-29-23-16/h2-7,10,21H,8-9,11H2,1H3,(H2,19,24)
• InChIKey: IGZGIJLASUTGEM-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 151.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The IUPAC name of 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11258931) is 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

What is the SMILES notation for 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The canonical SMILES for 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CS(=O)(=O)CNCCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1.

What is the InChIKey of 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

The InChIKey is IGZGIJLASUTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O4S/c1-30(26,27)11-21-8-9-28-13-4-2-12(3-5-13)25-15-6-7-20-10-14(15)22-18(25)16-17(19)24-29-23-16/h2-7,10,21H,8-9,11H2,1H3,(H2,19,24).

What are the key properties of 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?

4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 429.46 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11258931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).