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

C23H30N6O2S — CID 24551816

IUPAC3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)n2n1
InChIInChI=1S/C23H30N6O2S/c1-16-20(17(2)29-22(24-16)25-23(26-29)32-4)9-10-21(30)27(3)15-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h5-8H,9-15H2,1-4H3
InChIKeyPMPJPKYOXSFKOA-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.89
Rot. Bonds7

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

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 24551816) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID24551816
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)n2n1
InChIInChI=1S/C23H30N6O2S/c1-16-20(17(2)29-22(24-16)25-23(26-29)32-4)9-10-21(30)27(3)15-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h5-8H,9-15H2,1-4H3
InChIKeyPMPJPKYOXSFKOA-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)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

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 24643554
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 17483819
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 46610125
N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 137294296
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 17395261
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 39757211
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
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-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 18113388

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-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 24551816) is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)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-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is CSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)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-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is PMPJPKYOXSFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-16-20(17(2)29-22(24-16)25-23(26-29)32-4)9-10-21(30)27(3)15-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h5-8H,9-15H2,1-4H3.
What are the key properties of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 454.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 24551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).