2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid

C19H19N7O4 — CID 11350364

About 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid

2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid (PubChem CID 11350364) has the molecular formula C19H19N7O4 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid
• PubChem CID: 11350364
• Molecular Formula: C19H19N7O4
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.15
• IUPAC Name: 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid
• SMILES: CN(CCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1)CC(=O)O
• InChI: InChI=1S/C19H19N7O4/c1-25(11-16(27)28)8-9-29-13-4-2-12(3-5-13)26-15-6-7-21-10-14(15)22-19(26)17-18(20)24-30-23-17/h2-7,10H,8-9,11H2,1H3,(H2,20,24)(H,27,28)
• InChIKey: LHPGLVUUOFPWHI-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 145.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.41
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid?

The IUPAC name of 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid (CID 11350364) is 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid.

What is the SMILES notation for 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid?

The canonical SMILES for 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid is CN(CCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1)CC(=O)O.

What is the InChIKey of 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid?

The InChIKey is LHPGLVUUOFPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O4/c1-25(11-16(27)28)8-9-29-13-4-2-12(3-5-13)26-15-6-7-21-10-14(15)22-19(26)17-18(20)24-30-23-17/h2-7,10H,8-9,11H2,1H3,(H2,20,24)(H,27,28).

What are the key properties of 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid?

2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid has a molecular weight of 409.41 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid is sourced from PubChem (CID 11350364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).