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

C23H14N8O2 — CID 137038963

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

3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137038963) has the molecular formula C23H14N8O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137038963
• Molecular Formula: C23H14N8O2
• Molecular Weight: 434.42 g/mol
• Exact Mass: 434.12
• IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)nccc5[nH]4)c3n2)cn1
• InChI: InChI=1S/C23H14N8O2/c1-4-17-18(33-11-32-17)7-12(1)19-20-15(5-6-26-19)28-23(29-20)22-21-16(30-31-22)3-2-14(27-21)13-8-24-10-25-9-13/h1-10H,11H2,(H,28,29)(H,30,31)
• InChIKey: GWBGMIXHPJKLBS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.42
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (CID 137038963) is 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is c1ncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc7c(c6)OCO7)nccc5[nH]4)c3n2)cn1.

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

The InChIKey is GWBGMIXHPJKLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N8O2/c1-4-17-18(33-11-32-17)7-12(1)19-20-15(5-6-26-19)28-23(29-20)22-21-16(30-31-22)3-2-14(27-21)13-8-24-10-25-9-13/h1-10H,11H2,(H,28,29)(H,30,31).

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

3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 434.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).