5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine

C22H21N7 — CID 169033456

About 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine

5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 169033456) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
• PubChem CID: 169033456
• Molecular Formula: C22H21N7
• Molecular Weight: 383.46 g/mol
• Exact Mass: 383.19
• IUPAC Name: 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine
• SMILES: c1cncc(-c2nc3ccc(N4C[C@H]5CC[C@@H]4CN5)nc3n2-c2ccncc2)c1
• InChI: InChI=1S/C22H21N7/c1-2-15(12-24-9-1)21-26-19-5-6-20(28-14-16-3-4-18(28)13-25-16)27-22(19)29(21)17-7-10-23-11-8-17/h1-2,5-12,16,18,25H,3-4,13-14H2/t16-,18-/m1/s1
• InChIKey: HLZHOZIRZHFVRM-SJLPKXTDSA-N
• XLogP: 2.82
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.46
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?

The IUPAC name of 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 169033456) is 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine.

What is the SMILES notation for 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?

The canonical SMILES for 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine is c1cncc(-c2nc3ccc(N4C[C@H]5CC[C@@H]4CN5)nc3n2-c2ccncc2)c1.

What is the InChIKey of 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?

The InChIKey is HLZHOZIRZHFVRM-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-15(12-24-9-1)21-26-19-5-6-20(28-14-16-3-4-18(28)13-25-16)27-22(19)29(21)17-7-10-23-11-8-17/h1-2,5-12,16,18,25H,3-4,13-14H2/t16-,18-/m1/s1.

What are the key properties of 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine?

5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 383.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-pyridin-3-yl-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 169033456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).