5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C20H18FN7 — CID 71253573

About 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253573) has the molecular formula C20H18FN7 and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 71253573
• Molecular Formula: C20H18FN7
• Molecular Weight: 375.41 g/mol
• Exact Mass: 375.16
• IUPAC Name: 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Fc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1
• InChI: InChI=1S/C20H18FN7/c21-14-8-13(10-23-11-14)17-9-15-18(12-24-17)26-27-20(15)16-2-1-3-19(25-16)28-6-4-22-5-7-28/h1-3,8-12,22H,4-7H2,(H,26,27)
• InChIKey: LDNKOJMEWRTTJB-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71253573) is 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Fc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1.

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

The InChIKey is LDNKOJMEWRTTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7/c21-14-8-13(10-23-11-14)17-9-15-18(12-24-17)26-27-20(15)16-2-1-3-19(25-16)28-6-4-22-5-7-28/h1-3,8-12,22H,4-7H2,(H,26,27).

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

5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 375.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).