2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C17H15N7O2S — CID 16846156

IUPAC2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C17H15N7O2S/c1-10-13-8-18-24(12-6-4-3-5-7-12)15(13)16(26)23(22-10)9-14(25)19-17-21-20-11(2)27-17/h3-8H,9H2,1-2H3,(H,19,21,25)
InChIKeyXGMPUEUCNLOWFD-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 16846156) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID16846156
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC Name2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)s1
InChIInChI=1S/C17H15N7O2S/c1-10-13-8-18-24(12-6-4-3-5-7-12)15(13)16(26)23(22-10)9-14(25)19-17-21-20-11(2)27-17/h3-8H,9H2,1-2H3,(H,19,21,25)
InChIKeyXGMPUEUCNLOWFD-UHFFFAOYSA-N
XLogP1.69
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16846430
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-phenylacetamide
CID 16846801
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846397
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846904
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846903
N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846489
N-(3,4-dichlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 16846156) is 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)s1.
What is the InChIKey of 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XGMPUEUCNLOWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-10-13-8-18-24(12-6-4-3-5-7-12)15(13)16(26)23(22-10)9-14(25)19-17-21-20-11(2)27-17/h3-8H,9H2,1-2H3,(H,19,21,25).
What are the key properties of 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 381.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 16846156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).