N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C26H29N5O5 — CID 22513160

IUPACN-[2-(3,4-diethoxyphenyl)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)cc1OCC
InChIInChI=1S/C26H29N5O5/c1-4-35-23-11-6-18(14-24(23)36-5-2)12-13-27-25(32)16-30-26(33)22-15-21(29-31(22)17-28-30)19-7-9-20(34-3)10-8-19/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,27,32)
InChIKeyVSECSKNUZHZBKO-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.72
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 22513160) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID22513160
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)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)cc1OCC
InChIInChI=1S/C26H29N5O5/c1-4-35-23-11-6-18(14-24(23)36-5-2)12-13-27-25(32)16-30-26(33)22-15-21(29-31(22)17-28-30)19-7-9-20(34-3)10-8-19/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,27,32)
InChIKeyVSECSKNUZHZBKO-UHFFFAOYSA-N
XLogP2.72
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 22513160) is N-[2-(3,4-diethoxyphenyl)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-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)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)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is VSECSKNUZHZBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-4-35-23-11-6-18(14-24(23)36-5-2)12-13-27-25(32)16-30-26(33)22-15-21(29-31(22)17-28-30)19-7-9-20(34-3)10-8-19/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,27,32).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 491.55 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 22513160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).