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

C21H19N5O4 — CID 20953582

IUPACN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H19N5O4/c1-29-16-7-3-14(4-8-16)18-11-19-21(28)25(22-13-26(19)24-18)12-20(27)23-15-5-9-17(30-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyBAUFZPJZPKWRPZ-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.21
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 20953582) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID20953582
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H19N5O4/c1-29-16-7-3-14(4-8-16)18-11-19-21(28)25(22-13-26(19)24-18)12-20(27)23-15-5-9-17(30-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyBAUFZPJZPKWRPZ-UHFFFAOYSA-N
XLogP2.21
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 20953582) is N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is BAUFZPJZPKWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-29-16-7-3-14(4-8-16)18-11-19-21(28)25(22-13-26(19)24-18)12-20(27)23-15-5-9-17(30-2)10-6-15/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 405.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 20953582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).