2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide

C21H23N7O2S — CID 16671380

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C21H23N7O2S/c1-4-15(12-27-20(30)8-7-16(25-27)17-6-5-9-31-17)23-19(29)11-18-24-21-22-13(2)10-14(3)28(21)26-18/h5-10,15H,4,11-12H2,1-3H3,(H,23,29)/t15-/m1/s1
InChIKeyGISJQYMQDITKNP-OAHLLOKOSA-N
MW437.53 g/mol
LogP2.16
Rot. Bonds7

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide (PubChem CID 16671380) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide
PubChem CID16671380
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C21H23N7O2S/c1-4-15(12-27-20(30)8-7-16(25-27)17-6-5-9-31-17)23-19(29)11-18-24-21-22-13(2)10-14(3)28(21)26-18/h5-10,15H,4,11-12H2,1-3H3,(H,23,29)/t15-/m1/s1
InChIKeyGISJQYMQDITKNP-OAHLLOKOSA-N
XLogP2.16
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide with MolForge

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Related Compounds

3-(benzimidazol-1-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]propanamide
CID 16671433
N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95791748
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 95119426
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 52904256
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
N-[(S)-cyclohexyl(phenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 51956546
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 50748919
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide (CID 16671380) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide is CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide?
The InChIKey is GISJQYMQDITKNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-4-15(12-27-20(30)8-7-16(25-27)17-6-5-9-31-17)23-19(29)11-18-24-21-22-13(2)10-14(3)28(21)26-18/h5-10,15H,4,11-12H2,1-3H3,(H,23,29)/t15-/m1/s1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide has a molecular weight of 437.53 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 16671380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).