6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C16H17N7O2 — CID 137394454

IUPAC6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOC(OC)c1nc(-c2ccc3ncnn3c2)c(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C16H17N7O2/c1-22-7-6-11(21-22)14-13(19-15(20-14)16(24-2)25-3)10-4-5-12-17-9-18-23(12)8-10/h4-9,16H,1-3H3,(H,19,20)
InChIKeyNWIDYVDYXYDBOB-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.81
Rot. Bonds5

About 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 137394454) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID137394454
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOC(OC)c1nc(-c2ccc3ncnn3c2)c(-c2ccn(C)n2)[nH]1
InChIInChI=1S/C16H17N7O2/c1-22-7-6-11(21-22)14-13(19-15(20-14)16(24-2)25-3)10-4-5-12-17-9-18-23(12)8-10/h4-9,16H,1-3H3,(H,19,20)
InChIKeyNWIDYVDYXYDBOB-UHFFFAOYSA-N
XLogP1.81
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 137394454) is 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is COC(OC)c1nc(-c2ccc3ncnn3c2)c(-c2ccn(C)n2)[nH]1.
What is the InChIKey of 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NWIDYVDYXYDBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-22-7-6-11(21-22)14-13(19-15(20-14)16(24-2)25-3)10-4-5-12-17-9-18-23(12)8-10/h4-9,16H,1-3H3,(H,19,20).
What are the key properties of 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 339.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethoxymethyl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 137394454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).