1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine

C19H21N7O — CID 160996932

About 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine

1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 160996932) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
• PubChem CID: 160996932
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
• SMILES: COC1CN(CCn2ncc3c(N)nc4cc(-c5ccn[nH]5)ccc4c32)C1
• InChI: InChI=1S/C19H21N7O/c1-27-13-10-25(11-13)6-7-26-18-14-3-2-12(16-4-5-21-24-16)8-17(14)23-19(20)15(18)9-22-26/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,20,23)(H,21,24)
• InChIKey: TVJJEKGMBNGHDL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 97.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?

The IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine (CID 160996932) is 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?

The canonical SMILES for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine is COC1CN(CCn2ncc3c(N)nc4cc(-c5ccn[nH]5)ccc4c32)C1.

What is the InChIKey of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?

The InChIKey is TVJJEKGMBNGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-27-13-10-25(11-13)6-7-26-18-14-3-2-12(16-4-5-21-24-16)8-17(14)23-19(20)15(18)9-22-26/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,20,23)(H,21,24).

What are the key properties of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?

1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 363.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 160996932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).