2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide

C24H33N7O — CID 138591190

About 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide

2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide (PubChem CID 138591190) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
• PubChem CID: 138591190
• Molecular Formula: C24H33N7O
• Molecular Weight: 435.58 g/mol
• Exact Mass: 435.27
• IUPAC Name: 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
• SMILES: CCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3CN3CCCCC3)ccc2nn1
• InChI: InChI=1S/C24H33N7O/c1-4-30(5-2)17-24(32)26-23-14-19-13-18(9-10-21(19)27-28-23)20-15-25-29(3)22(20)16-31-11-7-6-8-12-31/h9-10,13-15H,4-8,11-12,16-17H2,1-3H3,(H,26,28,32)
• InChIKey: MOYUILDFKSNIPT-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.58
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide?

The IUPAC name of 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide (CID 138591190) is 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide.

What is the SMILES notation for 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide?

The canonical SMILES for 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide is CCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3CN3CCCCC3)ccc2nn1.

What is the InChIKey of 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide?

The InChIKey is MOYUILDFKSNIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-4-30(5-2)17-24(32)26-23-14-19-13-18(9-10-21(19)27-28-23)20-15-25-29(3)22(20)16-31-11-7-6-8-12-31/h9-10,13-15H,4-8,11-12,16-17H2,1-3H3,(H,26,28,32).

What are the key properties of 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide?

2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide has a molecular weight of 435.58 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide is sourced from PubChem (CID 138591190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).