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

C22H20N6O3 — CID 24588153

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C22H20N6O3/c1-12-10-15(14(3)30-12)17-11-16(20-13(2)27-31-22(20)24-17)21(29)23-8-7-19-26-25-18-6-4-5-9-28(18)19/h4-6,9-11H,7-8H2,1-3H3,(H,23,29)
InChIKeyGFJBHFNDHQIKSV-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.42
Rot. Bonds5

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24588153) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24588153
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C22H20N6O3/c1-12-10-15(14(3)30-12)17-11-16(20-13(2)27-31-22(20)24-17)21(29)23-8-7-19-26-25-18-6-4-5-9-28(18)19/h4-6,9-11H,7-8H2,1-3H3,(H,23,29)
InChIKeyGFJBHFNDHQIKSV-UHFFFAOYSA-N
XLogP3.42
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[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-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24588153) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCCc3nnc4ccccn34)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GFJBHFNDHQIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-12-10-15(14(3)30-12)17-11-16(20-13(2)27-31-22(20)24-17)21(29)23-8-7-19-26-25-18-6-4-5-9-28(18)19/h4-6,9-11H,7-8H2,1-3H3,(H,23,29).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.42, 5 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-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24588153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).