N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

C19H23N7O3S2 — CID 122346052

IUPACN-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)s1
InChIInChI=1S/C19H23N7O3S2/c1-14-7-8-26(23-14)18-5-4-17(21-22-18)24-9-11-25(12-10-24)31(28,29)19-6-3-16(30-19)13-20-15(2)27/h3-8H,9-13H2,1-2H3,(H,20,27)
InChIKeyYMIGWHLJLMOPOM-UHFFFAOYSA-N
MW461.57 g/mol
LogP1.18
Rot. Bonds6

About N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 122346052) has the molecular formula C19H23N7O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID122346052
Molecular FormulaC19H23N7O3S2
Molecular Weight461.57 g/mol
Exact Mass461.13
IUPAC NameN-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)s1
InChIInChI=1S/C19H23N7O3S2/c1-14-7-8-26(23-14)18-5-4-17(21-22-18)24-9-11-25(12-10-24)31(28,29)19-6-3-16(30-19)13-20-15(2)27/h3-8H,9-13H2,1-2H3,(H,20,27)
InChIKeyYMIGWHLJLMOPOM-UHFFFAOYSA-N
XLogP1.18
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332471
N-[[5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122343962
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122342848
N-[[5-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122345605
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122355811
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332954
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (CID 122346052) is N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)s1.
What is the InChIKey of N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is YMIGWHLJLMOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S2/c1-14-7-8-26(23-14)18-5-4-17(21-22-18)24-9-11-25(12-10-24)31(28,29)19-6-3-16(30-19)13-20-15(2)27/h3-8H,9-13H2,1-2H3,(H,20,27).
What are the key properties of N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122346052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).