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

C19H20N8O — CID 78904891

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3ccc(-n4ccnc4C)nc3)nc2n1
InChIInChI=1S/C19H20N8O/c1-12-8-13(2)27-19(23-12)24-16(25-27)9-18(28)22-11-15-4-5-17(21-10-15)26-7-6-20-14(26)3/h4-8,10H,9,11H2,1-3H3,(H,22,28)
InChIKeyHOLQRJDEBAUMRG-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.49
Rot. Bonds5

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 78904891) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID78904891
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3ccc(-n4ccnc4C)nc3)nc2n1
InChIInChI=1S/C19H20N8O/c1-12-8-13(2)27-19(23-12)24-16(25-27)9-18(28)22-11-15-4-5-17(21-10-15)26-7-6-20-14(26)3/h4-8,10H,9,11H2,1-3H3,(H,22,28)
InChIKeyHOLQRJDEBAUMRG-UHFFFAOYSA-N
XLogP1.49
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 126769788
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
CID 166191414

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 78904891) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is Cc1cc(C)n2nc(CC(=O)NCc3ccc(-n4ccnc4C)nc3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HOLQRJDEBAUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-12-8-13(2)27-19(23-12)24-16(25-27)9-18(28)22-11-15-4-5-17(21-10-15)26-7-6-20-14(26)3/h4-8,10H,9,11H2,1-3H3,(H,22,28).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 78904891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).