6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H16N6O3 — CID 55653385

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H16N6O3/c1-10-8-13(12(3)28-10)15-9-14(17-11(2)25-29-19(17)21-15)18(27)22-20-24-23-16-6-4-5-7-26(16)20/h4-9H,1-3H3,(H,22,24,27)
InChIKeyDEPXGNVWXARKPB-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.70
Rot. Bonds3

About 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55653385) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55653385
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H16N6O3/c1-10-8-13(12(3)28-10)15-9-14(17-11(2)25-29-19(17)21-15)18(27)22-20-24-23-16-6-4-5-7-26(16)20/h4-9H,1-3H3,(H,22,24,27)
InChIKeyDEPXGNVWXARKPB-UHFFFAOYSA-N
XLogP3.70
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55653385) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DEPXGNVWXARKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c1-10-8-13(12(3)28-10)15-9-14(17-11(2)25-29-19(17)21-15)18(27)22-20-24-23-16-6-4-5-7-26(16)20/h4-9H,1-3H3,(H,22,24,27).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55653385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).