N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C24H25N5O4 — CID 22513167

IUPACN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C24H25N5O4/c1-3-33-20-8-4-17(5-9-20)12-13-25-23(30)15-28-24(31)22-14-21(27-29(22)16-26-28)18-6-10-19(32-2)11-7-18/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,25,30)
InChIKeySKSLMHMDYALISL-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.32
Rot. Bonds9

About N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 22513167) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID22513167
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C24H25N5O4/c1-3-33-20-8-4-17(5-9-20)12-13-25-23(30)15-28-24(31)22-14-21(27-29(22)16-26-28)18-6-10-19(32-2)11-7-18/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,25,30)
InChIKeySKSLMHMDYALISL-UHFFFAOYSA-N
XLogP2.32
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 22513167) is N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CCOc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is SKSLMHMDYALISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-3-33-20-8-4-17(5-9-20)12-13-25-23(30)15-28-24(31)22-14-21(27-29(22)16-26-28)18-6-10-19(32-2)11-7-18/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 22513167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).