N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide

C23H23N5O4S — CID 30861027

IUPACN-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4OC)c23)c1
InChIInChI=1S/C23H23N5O4S/c1-14-16-12-24-28(18-7-5-6-8-20(18)32-4)22(16)23(27-26-14)33-13-21(29)25-17-11-15(30-2)9-10-19(17)31-3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyPFYLGIFIDKHANR-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.88
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide (PubChem CID 30861027) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide
PubChem CID30861027
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4OC)c23)c1
InChIInChI=1S/C23H23N5O4S/c1-14-16-12-24-28(18-7-5-6-8-20(18)32-4)22(16)23(27-26-14)33-13-21(29)25-17-11-15(30-2)9-10-19(17)31-3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyPFYLGIFIDKHANR-UHFFFAOYSA-N
XLogP3.88
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide
CID 30860822
ethyl (2S)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylbutanoate
CID 51867842
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
N-(2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243625
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 24891906
N-(2,5-dimethoxyphenyl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 18554486
N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide (CID 30861027) is N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4OC)c23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide?
The InChIKey is PFYLGIFIDKHANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-14-16-12-24-28(18-7-5-6-8-20(18)32-4)22(16)23(27-26-14)33-13-21(29)25-17-11-15(30-2)9-10-19(17)31-3/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide has a molecular weight of 465.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide is sourced from PubChem (CID 30861027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).