2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

C23H24N6O2S — CID 56724637

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCc3csc(-c4ccccc4)n3)n2)n1
InChIInChI=1S/C23H24N6O2S/c1-15-13-16(2)28(26-15)20-9-10-21(30)29(27-20)17(3)22(31)24-12-11-19-14-32-23(25-19)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12H2,1-3H3,(H,24,31)
InChIKeyUCFTWFKQEGMTCD-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.09
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 56724637) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID56724637
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCc3csc(-c4ccccc4)n3)n2)n1
InChIInChI=1S/C23H24N6O2S/c1-15-13-16(2)28(26-15)20-9-10-21(30)29(27-20)17(3)22(31)24-12-11-19-14-32-23(25-19)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12H2,1-3H3,(H,24,31)
InChIKeyUCFTWFKQEGMTCD-UHFFFAOYSA-N
XLogP3.09
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 56724637) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCc3csc(-c4ccccc4)n3)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is UCFTWFKQEGMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-13-16(2)28(26-15)20-9-10-21(30)29(27-20)17(3)22(31)24-12-11-19-14-32-23(25-19)18-7-5-4-6-8-18/h4-10,13-14,17H,11-12H2,1-3H3,(H,24,31).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 448.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 56724637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).