2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C19H19N8O2+ — CID 155629824

IUPAC2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-[n+]3ccco3)nc(N)n2n1
InChIInChI=1S/C19H19N8O2/c1-12-10-21-15-5-4-13(11-25(12)15)16-17(26-7-3-8-29-26)23-19(20)27-18(16)22-14(24-27)6-9-28-2/h3-5,7-8,10-11H,6,9H2,1-2H3,(H2,20,23)/q+1
InChIKeyVZMZIVWUZFKMTB-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.39
Rot. Bonds5

About 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 155629824) has the molecular formula C19H19N8O2+ and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID155629824
Molecular FormulaC19H19N8O2+
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-[n+]3ccco3)nc(N)n2n1
InChIInChI=1S/C19H19N8O2/c1-12-10-21-15-5-4-13(11-25(12)15)16-17(26-7-3-8-29-26)23-19(20)27-18(16)22-14(24-27)6-9-28-2/h3-5,7-8,10-11H,6,9H2,1-2H3,(H2,20,23)/q+1
InChIKeyVZMZIVWUZFKMTB-UHFFFAOYSA-N
XLogP1.39
TPSA112.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

5-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)isoxazol-3-amine
CID 24824680
N-(1,2-oxazol-3-yl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44125337
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684453
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684455
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684742
2-amino-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241323
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3-methylisoxazole-4-carboxamide
CID 118538958
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-4-isoxazolecarboxamide
CID 118538968
US11136337, Example 4.5
CID 139382191
1-(4-methyl-1,2-oxazol-3-yl)-3-[(3R)-1-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 172456329
US12365685, Example T-9
CID 158743720
US12365685, Example T-3
CID 160792033

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 155629824) is 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-[n+]3ccco3)nc(N)n2n1.
What is the InChIKey of 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is VZMZIVWUZFKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N8O2/c1-12-10-21-15-5-4-13(11-25(12)15)16-17(26-7-3-8-29-26)23-19(20)27-18(16)22-14(24-27)6-9-28-2/h3-5,7-8,10-11H,6,9H2,1-2H3,(H2,20,23)/q+1.
What are the key properties of 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 391.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2-oxazol-2-ium-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155629824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).