4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol

C20H15N3O4 — CID 178174177

About 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol

4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol (PubChem CID 178174177) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
• PubChem CID: 178174177
• Molecular Formula: C20H15N3O4
• Molecular Weight: 361.36 g/mol
• Exact Mass: 361.11
• IUPAC Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
• SMILES: Oc1ccc(-c2nc3ccncc3n2-c2ccc3c(c2)OCCO3)c(O)c1
• InChI: InChI=1S/C20H15N3O4/c24-13-2-3-14(17(25)10-13)20-22-15-5-6-21-11-16(15)23(20)12-1-4-18-19(9-12)27-8-7-26-18/h1-6,9-11,24-25H,7-8H2
• InChIKey: OSIVVSQQQMZTPQ-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 89.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.36
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?

The IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol (CID 178174177) is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol.

What is the SMILES notation for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?

The canonical SMILES for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol is Oc1ccc(-c2nc3ccncc3n2-c2ccc3c(c2)OCCO3)c(O)c1.

What is the InChIKey of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?

The InChIKey is OSIVVSQQQMZTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-13-2-3-14(17(25)10-13)20-22-15-5-6-21-11-16(15)23(20)12-1-4-18-19(9-12)27-8-7-26-18/h1-6,9-11,24-25H,7-8H2.

What are the key properties of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol?

4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 361.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 178174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).