3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C23H36N6OS — CID 24624923

IUPAC3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCSc1nc2nc(C)c(CCC(=O)NCC3(N4CCCCC4)CCCCC3)c(C)n2n1
InChIInChI=1S/C23H36N6OS/c1-17-19(18(2)29-21(25-17)26-22(27-29)31-3)10-11-20(30)24-16-23(12-6-4-7-13-23)28-14-8-5-9-15-28/h4-16H2,1-3H3,(H,24,30)
InChIKeyDZSYEHXUVKYSAI-UHFFFAOYSA-N
MW444.65 g/mol
LogP3.70
Rot. Bonds7

About 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 24624923) has the molecular formula C23H36N6OS and a molecular weight of 444.65 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID24624923
Molecular FormulaC23H36N6OS
Molecular Weight444.65 g/mol
Exact Mass444.27
IUPAC Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCSc1nc2nc(C)c(CCC(=O)NCC3(N4CCCCC4)CCCCC3)c(C)n2n1
InChIInChI=1S/C23H36N6OS/c1-17-19(18(2)29-21(25-17)26-22(27-29)31-3)10-11-20(30)24-16-23(12-6-4-7-13-23)28-14-8-5-9-15-28/h4-16H2,1-3H3,(H,24,30)
InChIKeyDZSYEHXUVKYSAI-UHFFFAOYSA-N
XLogP3.70
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methoxypropanamide
CID 18151038
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 30337194
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24624856
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24667649
3-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-4-pyrrolidin-1-ylbenzamide
CID 30755821
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370444
N'-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24553554
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16561770
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27810795
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-ethylphenyl)propanamide
CID 7603292
N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 167757938
1-(azetidin-1-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 134015615

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 24624923) is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is CSc1nc2nc(C)c(CCC(=O)NCC3(N4CCCCC4)CCCCC3)c(C)n2n1.
What is the InChIKey of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is DZSYEHXUVKYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6OS/c1-17-19(18(2)29-21(25-17)26-22(27-29)31-3)10-11-20(30)24-16-23(12-6-4-7-13-23)28-14-8-5-9-15-28/h4-16H2,1-3H3,(H,24,30).
What are the key properties of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 444.65 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 24624923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).