3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide

C28H33N5O5 — CID 20863572

IUPAC3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCCc4cc(OC)ccc4OC)c(C)n3n2)c1
InChIInChI=1S/C28H33N5O5/c1-17-24(8-10-26(34)29-12-11-19-13-21(35-3)7-9-25(19)38-6)18(2)33-28(30-17)31-27(32-33)20-14-22(36-4)16-23(15-20)37-5/h7,9,13-16H,8,10-12H2,1-6H3,(H,29,34)
InChIKeyXXISOPVICWDQDF-UHFFFAOYSA-N
MW519.60 g/mol
LogP3.73
Rot. Bonds11

About 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide

3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 20863572) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID20863572
Molecular FormulaC28H33N5O5
Molecular Weight519.60 g/mol
Exact Mass519.25
IUPAC Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCCc4cc(OC)ccc4OC)c(C)n3n2)c1
InChIInChI=1S/C28H33N5O5/c1-17-24(8-10-26(34)29-12-11-19-13-21(35-3)7-9-25(19)38-6)18(2)33-28(30-17)31-27(32-33)20-14-22(36-4)16-23(15-20)37-5/h7,9,13-16H,8,10-12H2,1-6H3,(H,29,34)
InChIKeyXXISOPVICWDQDF-UHFFFAOYSA-N
XLogP3.73
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863581
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 20863546
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
CID 20863547
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20862904
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 26993525
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 20863460
N-[(2,5-dimethoxyphenyl)methyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 33103867
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23602199
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591
N-[(3,4-dimethoxyphenyl)methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 55433798
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 20863572) is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCCc4cc(OC)ccc4OC)c(C)n3n2)c1.
What is the InChIKey of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is XXISOPVICWDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-17-24(8-10-26(34)29-12-11-19-13-21(35-3)7-9-25(19)38-6)18(2)33-28(30-17)31-27(32-33)20-14-22(36-4)16-23(15-20)37-5/h7,9,13-16H,8,10-12H2,1-6H3,(H,29,34).
What are the key properties of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide?
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 519.60 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 20863572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).