8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine

C17H18FN5O — CID 134128167

IUPAC8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(CCC3=NC4C(F)=CC=CN4N3)n2)o1
InChIInChI=1S/C17H18FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,20,21)
InChIKeyUZQPUNBXRJMVEN-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.85
Rot. Bonds4

About 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine

8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134128167) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134128167
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(CCC3=NC4C(F)=CC=CN4N3)n2)o1
InChIInChI=1S/C17H18FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,20,21)
InChIKeyUZQPUNBXRJMVEN-UHFFFAOYSA-N
XLogP2.85
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 134128167) is 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(-c2cn(C)c(CCC3=NC4C(F)=CC=CN4N3)n2)o1.
What is the InChIKey of 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UZQPUNBXRJMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-5-6-14(24-11)13-10-22(2)16(19-13)8-7-15-20-17-12(18)4-3-9-23(17)21-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 327.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134128167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).