N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C22H19N5O5 — CID 42100145

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1
InChIInChI=1S/C22H19N5O5/c1-2-30-16-6-3-14(4-7-16)17-10-18-22(29)26(23-12-27(18)25-17)11-21(28)24-15-5-8-19-20(9-15)32-13-31-19/h3-10,12H,2,11,13H2,1H3,(H,24,28)
InChIKeyNDHFAEGWOHOHIJ-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.32
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 42100145) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID42100145
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1
InChIInChI=1S/C22H19N5O5/c1-2-30-16-6-3-14(4-7-16)17-10-18-22(29)26(23-12-27(18)25-17)11-21(28)24-15-5-8-19-20(9-15)32-13-31-19/h3-10,12H,2,11,13H2,1H3,(H,24,28)
InChIKeyNDHFAEGWOHOHIJ-UHFFFAOYSA-N
XLogP2.32
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281643
N-[(3,4-dimethylphenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857576
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 50795706
N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857561
N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 50795645
N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857585
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 50812887
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 42100145) is N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is NDHFAEGWOHOHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-2-30-16-6-3-14(4-7-16)17-10-18-22(29)26(23-12-27(18)25-17)11-21(28)24-15-5-8-19-20(9-15)32-13-31-19/h3-10,12H,2,11,13H2,1H3,(H,24,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 433.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 42100145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).