N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C22H20FN5O2 — CID 50750197

IUPACN-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCOc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3n2)cc1
InChIInChI=1S/C22H20FN5O2/c1-13-19(12-20(29)25-17-8-6-16(23)7-9-17)14(2)28-22(24-13)26-21(27-28)15-4-10-18(30-3)11-5-15/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyPKOGHYUCAHYWMR-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.74
Rot. Bonds5

About N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 50750197) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID50750197
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCOc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3n2)cc1
InChIInChI=1S/C22H20FN5O2/c1-13-19(12-20(29)25-17-8-6-16(23)7-9-17)14(2)28-22(24-13)26-21(27-28)15-4-10-18(30-3)11-5-15/h4-11H,12H2,1-3H3,(H,25,29)
InChIKeyPKOGHYUCAHYWMR-UHFFFAOYSA-N
XLogP3.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide 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-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
CID 50750206
2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 50750226
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
CID 20863547
2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
CID 50750264
2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)acetamide
CID 50750342
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 50750053
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50749946
2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 53214262
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 50750287
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796564

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 50750197) is N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is PKOGHYUCAHYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13-19(12-20(29)25-17-8-6-16(23)7-9-17)14(2)28-22(24-13)26-21(27-28)15-4-10-18(30-3)11-5-15/h4-11H,12H2,1-3H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 50750197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).