4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide

C20H19N7O2S — CID 122305906

IUPAC4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Oc2ccc(-n3nc(C)c(C)c3C)nn2)cc1
InChIInChI=1S/C20H19N7O2S/c1-11-12(2)25-27(14(11)4)17-9-10-18(24-23-17)29-16-7-5-15(6-8-16)21-20(28)19-13(3)22-26-30-19/h5-10H,1-4H3,(H,21,28)
InChIKeyQFHGBXOUAZFYHZ-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide

4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide (PubChem CID 122305906) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
PubChem CID122305906
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC Name4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(Oc2ccc(-n3nc(C)c(C)c3C)nn2)cc1
InChIInChI=1S/C20H19N7O2S/c1-11-12(2)25-27(14(11)4)17-9-10-18(24-23-17)29-16-7-5-15(6-8-16)21-20(28)19-13(3)22-26-30-19/h5-10H,1-4H3,(H,21,28)
InChIKeyQFHGBXOUAZFYHZ-UHFFFAOYSA-N
XLogP3.79
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305793
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122305786
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122305790
(E)-3-(2-chlorophenyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]prop-2-enamide
CID 122305918
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305882
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 2740655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide (CID 122305906) is 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(Oc2ccc(-n3nc(C)c(C)c3C)nn2)cc1.
What is the InChIKey of 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The InChIKey is QFHGBXOUAZFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-11-12(2)25-27(14(11)4)17-9-10-18(24-23-17)29-16-7-5-15(6-8-16)21-20(28)19-13(3)22-26-30-19/h5-10H,1-4H3,(H,21,28).
What are the key properties of 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 122305906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).