2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

C23H23N5O2 — CID 50750226

IUPAC2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C)cc4)nn3c2C)c1
InChIInChI=1S/C23H23N5O2/c1-14-8-10-17(11-9-14)22-26-23-24-15(2)20(16(3)28(23)27-22)13-21(29)25-18-6-5-7-19(12-18)30-4/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyRPLNKEHVHZJKEA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.91
Rot. Bonds5

About 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide

2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 50750226) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID50750226
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C)cc4)nn3c2C)c1
InChIInChI=1S/C23H23N5O2/c1-14-8-10-17(11-9-14)22-26-23-24-15(2)20(16(3)28(23)27-22)13-21(29)25-18-6-5-7-19(12-18)30-4/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyRPLNKEHVHZJKEA-UHFFFAOYSA-N
XLogP3.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 50750197
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50749946
N-(3-methoxyphenyl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 53048706
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750027
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]acetic acid
CID 53214262
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-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 55867452
2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4055394
N-(3-acetylphenyl)-2-(2-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749971
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
CID 20863547

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide (CID 50750226) is 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C)cc4)nn3c2C)c1.
What is the InChIKey of 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RPLNKEHVHZJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-8-10-17(11-9-14)22-26-23-24-15(2)20(16(3)28(23)27-22)13-21(29)25-18-6-5-7-19(12-18)30-4/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide?
2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 50750226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).