N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide

C24H21N5O2S — CID 24600113

IUPACN-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nn2)n1
InChIInChI=1S/C24H21N5O2S/c1-16-14-17(2)29(28-16)22-12-13-23(27-26-22)32-15-21(30)18-8-10-20(11-9-18)25-24(31)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,31)
InChIKeyRGSRYNNVRBXJMO-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide

N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide (PubChem CID 24600113) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
PubChem CID24600113
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nn2)n1
InChIInChI=1S/C24H21N5O2S/c1-16-14-17(2)29(28-16)22-12-13-23(27-26-22)32-15-21(30)18-8-10-20(11-9-18)25-24(31)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,31)
InChIKeyRGSRYNNVRBXJMO-UHFFFAOYSA-N
XLogP4.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-bromophenyl)phenyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 16603024
[2-(4-benzamidophenyl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644829
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 24600072
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
6-amino-1-benzyl-5-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-3-ethylpyrimidine-2,4-dione
CID 24600104
1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 17463551
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122292441
3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
CID 121031284
4-cyano-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305592

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide (CID 24600113) is N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide is Cc1cc(C)n(-c2ccc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nn2)n1.
What is the InChIKey of N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide?
The InChIKey is RGSRYNNVRBXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-16-14-17(2)29(28-16)22-12-13-23(27-26-22)32-15-21(30)18-8-10-20(11-9-18)25-24(31)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,31).
What are the key properties of N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide?
N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide is sourced from PubChem (CID 24600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).