1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C₂₀H₂₀N₆ — CID 134191681

About 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 134191681) has the molecular formula C₂₀H₂₀N₆ and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
• PubChem CID: 134191681
• Molecular Formula: C₂₀H₂₀N₆
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.17
• IUPAC Name: 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
• SMILES: c1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1
• InChI: InChI=1S/C20H20N6/c1-2-11-26(12-3-1)20-16-7-6-15(13-14(16)8-10-22-20)23-19-18-17(24-25-19)5-4-9-21-18/h4-10,13H,1-3,11-12H2,(H2,23,24,25)
• InChIKey: GGYXNEFKIIDDMJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

The IUPAC name of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 134191681) is 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

What is the SMILES notation for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

The canonical SMILES for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is c1cnc2c(Nc3ccc4c(N5CCCCC5)nccc4c3)n[nH]c2c1.

What is the InChIKey of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

The InChIKey is GGYXNEFKIIDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-11-26(12-3-1)20-16-7-6-15(13-14(16)8-10-22-20)23-19-18-17(24-25-19)5-4-9-21-18/h4-10,13H,1-3,11-12H2,(H2,23,24,25).

What are the key properties of 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 344.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 134191681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134191681 — identifiers, structure, computed properties (public domain)

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