2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol

C23H22N4O3 — CID 178174137

About 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol (PubChem CID 178174137) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol.

Molecular Properties

• Compound Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol
• PubChem CID: 178174137
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol
• SMILES: CCCNc1ccc(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c(O)c1
• InChI: InChI=1S/C23H22N4O3/c1-2-9-24-15-5-7-17(19(28)13-15)22-26-18-4-3-10-25-23(18)27(22)16-6-8-20-21(14-16)30-12-11-29-20/h3-8,10,13-14,24,28H,2,9,11-12H2,1H3
• InChIKey: OIYIXZDWFGQHQS-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 81.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol (CID 178174137) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol.

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

The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol is CCCNc1ccc(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c(O)c1.

What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol?

The InChIKey is OIYIXZDWFGQHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-9-24-15-5-7-17(19(28)13-15)22-26-18-4-3-10-25-23(18)27(22)16-6-8-20-21(14-16)30-12-11-29-20/h3-8,10,13-14,24,28H,2,9,11-12H2,1H3.

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

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol has a molecular weight of 402.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol is sourced from PubChem (CID 178174137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).