5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H17N5O — CID 53251780

IUPAC5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cnc(CCc3nc4cccc(C)n4n3)[nH]2)o1
InChIInChI=1S/C17H17N5O/c1-11-4-3-5-17-20-16(21-22(11)17)9-8-15-18-10-13(19-15)14-7-6-12(2)23-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyXORHTAGLCHHINC-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.11
Rot. Bonds4

About 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53251780) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53251780
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cnc(CCc3nc4cccc(C)n4n3)[nH]2)o1
InChIInChI=1S/C17H17N5O/c1-11-4-3-5-17-20-16(21-22(11)17)9-8-15-18-10-13(19-15)14-7-6-12(2)23-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyXORHTAGLCHHINC-UHFFFAOYSA-N
XLogP3.11
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53251780) is 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(-c2cnc(CCc3nc4cccc(C)n4n3)[nH]2)o1.
What is the InChIKey of 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XORHTAGLCHHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-4-3-5-17-20-16(21-22(11)17)9-8-15-18-10-13(19-15)14-7-6-12(2)23-14/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 307.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).