N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide

C26H23N5O2 — CID 16846937

IUPACN-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C26H23N5O2/c1-17(2)24-21-15-27-31(19-11-4-3-5-12-19)25(21)26(33)30(29-24)16-23(32)28-22-14-8-10-18-9-6-7-13-20(18)22/h3-15,17H,16H2,1-2H3,(H,28,32)
InChIKeyRYEQRYDMFYHILV-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.50
Rot. Bonds5

About N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide

N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide (PubChem CID 16846937) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
PubChem CID16846937
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C26H23N5O2/c1-17(2)24-21-15-27-31(19-11-4-3-5-12-19)25(21)26(33)30(29-24)16-23(32)28-22-14-8-10-18-9-6-7-13-20(18)22/h3-15,17H,16H2,1-2H3,(H,28,32)
InChIKeyRYEQRYDMFYHILV-UHFFFAOYSA-N
XLogP4.50
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-naphthalen-1-ylacetamide
CID 16847282
ethyl 2-[[2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzoate
CID 16846967
N-(2,5-dimethoxyphenyl)-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846957
N-(2,3-dimethylphenyl)-2-[1-(2-methylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847171
N-(3,4-dimethoxyphenyl)-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846958
N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847086
N-(2,4-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847058
N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847133
N-(3,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847059
2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide
CID 16847293
N-(2,5-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847072
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide (CID 16846937) is N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2cccc3ccccc23)c(=O)c2c1cnn2-c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The InChIKey is RYEQRYDMFYHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-17(2)24-21-15-27-31(19-11-4-3-5-12-19)25(21)26(33)30(29-24)16-23(32)28-22-14-8-10-18-9-6-7-13-20(18)22/h3-15,17H,16H2,1-2H3,(H,28,32).
What are the key properties of N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 16846937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).