3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

C21H19BrN6 — CID 123586407

About 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123586407) has the molecular formula C21H19BrN6 and a molecular weight of 435.33 g/mol. Its IUPAC name is 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 123586407
• Molecular Formula: C21H19BrN6
• Molecular Weight: 435.33 g/mol
• Exact Mass: 434.09
• IUPAC Name: 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: Brc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCCCC1
• InChI: InChI=1S/C21H19BrN6/c22-16-6-7-17(25-21(16)28-9-2-1-3-10-28)20-15-11-18(14-5-4-8-23-12-14)24-13-19(15)26-27-20/h4-8,11-13H,1-3,9-10H2,(H,26,27)
• InChIKey: CRIJLOWSVGGQMC-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.33
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (CID 123586407) is 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is Brc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCCCC1.

What is the InChIKey of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is CRIJLOWSVGGQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6/c22-16-6-7-17(25-21(16)28-9-2-1-3-10-28)20-15-11-18(14-5-4-8-23-12-14)24-13-19(15)26-27-20/h4-8,11-13H,1-3,9-10H2,(H,26,27).

What are the key properties of 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 435.33 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123586407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).