3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine

C25H16N6O2 — CID 137109378

About 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109378) has the molecular formula C25H16N6O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137109378
• Molecular Formula: C25H16N6O2
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.13
• IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cc(-c2ccc3c(c2)OCO3)c2nc(-c3n[nH]c4ccc(-c5ccncc5)nc34)[nH]c2c1
• InChI: InChI=1S/C25H16N6O2/c1-2-16(15-4-7-20-21(12-15)33-13-32-20)22-18(3-1)28-25(29-22)24-23-19(30-31-24)6-5-17(27-23)14-8-10-26-11-9-14/h1-12H,13H2,(H,28,29)(H,30,31)
• InChIKey: XIRXGGQJVNWLAK-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 101.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137109378) is 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is c1cc(-c2ccc3c(c2)OCO3)c2nc(-c3n[nH]c4ccc(-c5ccncc5)nc34)[nH]c2c1.

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

The InChIKey is XIRXGGQJVNWLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2/c1-2-16(15-4-7-20-21(12-15)33-13-32-20)22-18(3-1)28-25(29-22)24-23-19(30-31-24)6-5-17(27-23)14-8-10-26-11-9-14/h1-12H,13H2,(H,28,29)(H,30,31).

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

3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 432.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).