ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate

C24H23N5O4 — CID 16846551

IUPACethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc(C)c2cnn(-c3ccccc3C)c2c1=O
InChIInChI=1S/C24H23N5O4/c1-4-33-24(32)17-10-6-7-11-19(17)26-21(30)14-28-23(31)22-18(16(3)27-28)13-25-29(22)20-12-8-5-9-15(20)2/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyYQPRCZRHPDMXRI-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.01
Rot. Bonds6

About ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate

ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate (PubChem CID 16846551) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate
PubChem CID16846551
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Nameethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc(C)c2cnn(-c3ccccc3C)c2c1=O
InChIInChI=1S/C24H23N5O4/c1-4-33-24(32)17-10-6-7-11-19(17)26-21(30)14-28-23(31)22-18(16(3)27-28)13-25-29(22)20-12-8-5-9-15(20)2/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyYQPRCZRHPDMXRI-UHFFFAOYSA-N
XLogP3.01
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
ethyl 2-[[2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzoate
CID 16846967
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide
CID 16846672
N-(2,3-dimethylphenyl)-2-[1-(2-methylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847171
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846397
6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846606
6-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-1-(2-methylphenyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846636
ethyl 2-[[2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
CID 3243625
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
CID 16846665
ethyl 4-[[2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
CID 16802749
ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
CID 16799467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate (CID 16846551) is ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1nc(C)c2cnn(-c3ccccc3C)c2c1=O.
What is the InChIKey of ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate?
The InChIKey is YQPRCZRHPDMXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-4-33-24(32)17-10-6-7-11-19(17)26-21(30)14-28-23(31)22-18(16(3)27-28)13-25-29(22)20-12-8-5-9-15(20)2/h5-13H,4,14H2,1-3H3,(H,26,30).
What are the key properties of ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate has a molecular weight of 445.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate is sourced from PubChem (CID 16846551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).