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

C17H16FN5O — CID 134128164

IUPAC8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(/C=C\C3=NC4C(F)=CC=CN4N3)n2)o1
InChIInChI=1S/C17H16FN5O/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/h3-10,17H,1-2H3,(H,20,21)/b8-7-
InChIKeyROZPAAOVXPSCRO-FPLPWBNLSA-N
MW325.35 g/mol
LogP2.93
Rot. Bonds3

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

8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134128164) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134128164
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(-c2cn(C)c(/C=C\C3=NC4C(F)=CC=CN4N3)n2)o1
InChIInChI=1S/C17H16FN5O/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/h3-10,17H,1-2H3,(H,20,21)/b8-7-
InChIKeyROZPAAOVXPSCRO-FPLPWBNLSA-N
XLogP2.93
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

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CID 4288207
CID 7066594
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CID 7066599
CID 7066599
CID 137639818
CID 137639818
CID 6621186
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CID 53250502
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CID 53250651
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CID 53250652

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 134128164) is 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(-c2cn(C)c(/C=C\C3=NC4C(F)=CC=CN4N3)n2)o1.
What is the InChIKey of 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ROZPAAOVXPSCRO-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H16FN5O/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/h3-10,17H,1-2H3,(H,20,21)/b8-7-.
What are the key properties of 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 325.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(Z)-2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethenyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134128164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).