N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide

C24H25N5O3S — CID 30860822

IUPACN-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C(C)C)c3cnn(-c4ccccc4)c23)c(OC)c1
InChIInChI=1S/C24H25N5O3S/c1-15(2)22-18-13-25-29(16-8-6-5-7-9-16)23(18)24(28-27-22)33-14-21(30)26-19-11-10-17(31-3)12-20(19)32-4/h5-13,15H,14H2,1-4H3,(H,26,30)
InChIKeyAEWFOIBMQGXOHI-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.69
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide (PubChem CID 30860822) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide
PubChem CID30860822
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C(C)C)c3cnn(-c4ccccc4)c23)c(OC)c1
InChIInChI=1S/C24H25N5O3S/c1-15(2)22-18-13-25-29(16-8-6-5-7-9-16)23(18)24(28-27-22)33-14-21(30)26-19-11-10-17(31-3)12-20(19)32-4/h5-13,15H,14H2,1-4H3,(H,26,30)
InChIKeyAEWFOIBMQGXOHI-UHFFFAOYSA-N
XLogP4.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-4-methylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide
CID 30861027
N-(2,5-dimethoxyphenyl)-2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 16846957
N-(2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 18561790
N-(2,4-dimethoxyphenyl)-2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869332
4-[[2-[1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl]sulfanylacetyl]amino]benzamide
CID 30860947
N-(2,4-dimethoxyphenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451361
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7728787
N-(2,4-dimethoxyphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082670
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
N-(2,4-dimethoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2707033
N-(2,4-dimethoxyphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4041118
N-(2,4-dimethoxyphenyl)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3824791

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide (CID 30860822) is N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nnc(C(C)C)c3cnn(-c4ccccc4)c23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide?
The InChIKey is AEWFOIBMQGXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15(2)22-18-13-25-29(16-8-6-5-7-9-16)23(18)24(28-27-22)33-14-21(30)26-19-11-10-17(31-3)12-20(19)32-4/h5-13,15H,14H2,1-4H3,(H,26,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide has a molecular weight of 463.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-yl)sulfanylacetamide is sourced from PubChem (CID 30860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).