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

C25H20ClN5O4 — CID 53331153

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1Cl
InChIInChI=1S/C25H20ClN5O4/c1-34-22-12-23(35-2)20(10-18(22)26)28-24(32)13-30-25(33)21-11-19(29-31(21)14-27-30)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,14H,13H2,1-2H3,(H,28,32)
InChIKeyWHSALFZSGWOMLY-UHFFFAOYSA-N
MW489.92 g/mol
LogP4.02
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 53331153) has the molecular formula C25H20ClN5O4 and a molecular weight of 489.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID53331153
Molecular FormulaC25H20ClN5O4
Molecular Weight489.92 g/mol
Exact Mass489.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1Cl
InChIInChI=1S/C25H20ClN5O4/c1-34-22-12-23(35-2)20(10-18(22)26)28-24(32)13-30-25(33)21-11-19(29-31(21)14-27-30)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,14H,13H2,1-2H3,(H,28,32)
InChIKeyWHSALFZSGWOMLY-UHFFFAOYSA-N
XLogP4.02
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331188
2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857537
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281643
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-ethyl-N-(3-methylphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 53331112
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953502
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513148
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821389
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxoquinoline-3-carboxylic acid
CID 155322891
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 53331153) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is COc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is WHSALFZSGWOMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O4/c1-34-22-12-23(35-2)20(10-18(22)26)28-24(32)13-30-25(33)21-11-19(29-31(21)14-27-30)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,14H,13H2,1-2H3,(H,28,32).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 489.92 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 53331153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).