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

C24H33N7O — CID 138591190

IUPAC2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3CN3CCCCC3)ccc2nn1
InChIInChI=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)
InChIKeyMOYUILDFKSNIPT-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.30
Rot. Bonds8

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 Name2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
PubChem CID138591190
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1cc2cc(-c3cnn(C)c3CN3CCCCC3)ccc2nn1
InChIInChI=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)
InChIKeyMOYUILDFKSNIPT-UHFFFAOYSA-N
XLogP3.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).