7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C21H20BrN5O3 — CID 135410505

IUPAC7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1O
InChIInChI=1S/C21H20BrN5O3/c1-3-30-16-10-13(9-15(22)19(16)28)18-17(12(2)25-21-23-11-24-27(18)21)20(29)26-14-7-5-4-6-8-14/h4-11,18,28H,3H2,1-2H3,(H,26,29)(H,23,24,25)
InChIKeyXCUOEYREXZVCDB-UHFFFAOYSA-N
MW470.33 g/mol
LogP4.07
Rot. Bonds5

About 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410505) has the molecular formula C21H20BrN5O3 and a molecular weight of 470.33 g/mol. Its IUPAC name is 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410505
Molecular FormulaC21H20BrN5O3
Molecular Weight470.33 g/mol
Exact Mass469.07
IUPAC Name7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1O
InChIInChI=1S/C21H20BrN5O3/c1-3-30-16-10-13(9-15(22)19(16)28)18-17(12(2)25-21-23-11-24-27(18)21)20(29)26-14-7-5-4-6-8-14/h4-11,18,28H,3H2,1-2H3,(H,26,29)(H,23,24,25)
InChIKeyXCUOEYREXZVCDB-UHFFFAOYSA-N
XLogP4.07
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 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

7-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792956
7-(3-Ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416464
[7-(4-hydroxy-3-methoxyphenyl)-5-methyl(4,7,8-trihydro-1,2,4-triazolo[1,5-a]py rimidin-6-yl)]-N-(2-methoxyphenyl)carboxamide
CID 135515092
7-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410506
7-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410498
7-(3,4-dimethoxyphenyl)-5-methyl-N-(p-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5082555
7-[4-(benzyloxy)-3-methoxyphenyl]-5-methyl-N-phenyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 4338416
7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2791007
2-Ethoxy-4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl benzoate
CID 4090305
N-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4122145
7-(3-Bromo-4-methoxyphenyl)-N-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4127151
N-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4327060

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410505) is 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1O.
What is the InChIKey of 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XCUOEYREXZVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O3/c1-3-30-16-10-13(9-15(22)19(16)28)18-17(12(2)25-21-23-11-24-27(18)21)20(29)26-14-7-5-4-6-8-14/h4-11,18,28H,3H2,1-2H3,(H,26,29)(H,23,24,25).
What are the key properties of 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 470.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).