2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C24H32N6O2 — CID 20953693

IUPAC2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCCC4C)nc(C)n3n2)cc1
InChIInChI=1S/C24H32N6O2/c1-4-19-8-10-20(11-9-19)21-15-22-24(32)29(26-18(3)30(22)27-21)16-23(31)25-12-14-28-13-6-5-7-17(28)2/h8-11,15,17H,4-7,12-14,16H2,1-3H3,(H,25,31)
InChIKeyJHOXGOMPOVDURK-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 20953693) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID20953693
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCCC4C)nc(C)n3n2)cc1
InChIInChI=1S/C24H32N6O2/c1-4-19-8-10-20(11-9-19)21-15-22-24(32)29(26-18(3)30(22)27-21)16-23(31)25-12-14-28-13-6-5-7-17(28)2/h8-11,15,17H,4-7,12-14,16H2,1-3H3,(H,25,31)
InChIKeyJHOXGOMPOVDURK-UHFFFAOYSA-N
XLogP2.42
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 20953693) is 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCCC4C)nc(C)n3n2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is JHOXGOMPOVDURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-19-8-10-20(11-9-19)21-15-22-24(32)29(26-18(3)30(22)27-21)16-23(31)25-12-14-28-13-6-5-7-17(28)2/h8-11,15,17H,4-7,12-14,16H2,1-3H3,(H,25,31).
What are the key properties of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 20953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).