5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

C24H15N7O3 — CID 137041682

About 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137041682) has the molecular formula C24H15N7O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137041682
• Molecular Formula: C24H15N7O3
• Molecular Weight: 449.43 g/mol
• Exact Mass: 449.12
• IUPAC Name: 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C24H15N7O3/c32-14-7-13(9-25-10-14)16-2-3-17-21(27-16)22(31-30-17)24-28-20-15(5-6-26-23(20)29-24)12-1-4-18-19(8-12)34-11-33-18/h1-10,32H,11H2,(H,30,31)(H,26,28,29)
• InChIKey: OHGKEPLYFKUXNJ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 134.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.43
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The IUPAC name of 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137041682) is 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

What is the SMILES notation for 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The canonical SMILES for 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The InChIKey is OHGKEPLYFKUXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N7O3/c32-14-7-13(9-25-10-14)16-2-3-17-21(27-16)22(31-30-17)24-28-20-15(5-6-26-23(20)29-24)12-1-4-18-19(8-12)34-11-33-18/h1-10,32H,11H2,(H,30,31)(H,26,28,29).

What are the key properties of 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 449.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137041682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).