N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

C26H28N8 — CID 137109328

About N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 137109328) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 137109328
• Molecular Formula: C26H28N8
• Molecular Weight: 452.57 g/mol
• Exact Mass: 452.24
• IUPAC Name: N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C26H28N8/c1-2-27-14-17-13-18(16-28-15-17)19-9-10-21-24(29-19)25(33-32-21)26-30-20-7-6-8-22(23(20)31-26)34-11-4-3-5-12-34/h6-10,13,15-16,27H,2-5,11-12,14H2,1H3,(H,30,31)(H,32,33)
• InChIKey: JZMKJWZUMBZJMF-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 98.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.57
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 137109328) is N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3n2)c1.

What is the InChIKey of N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The InChIKey is JZMKJWZUMBZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-2-27-14-17-13-18(16-28-15-17)19-9-10-21-24(29-19)25(33-32-21)26-30-20-7-6-8-22(23(20)31-26)34-11-4-3-5-12-34/h6-10,13,15-16,27H,2-5,11-12,14H2,1H3,(H,30,31)(H,32,33).

What are the key properties of N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 452.57 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 137109328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).