2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

C18H13FN6 — CID 82565927

IUPAC2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H13FN6/c19-13-3-1-12(2-4-13)17-23-18-14(16(20)21)5-6-15(25(18)24-17)11-7-9-22-10-8-11/h1-10H,(H3,20,21)
InChIKeyKDYJJRYAZMPZNF-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565927) has the molecular formula C18H13FN6 and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565927
Molecular FormulaC18H13FN6
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H13FN6/c19-13-3-1-12(2-4-13)17-23-18-14(16(20)21)5-6-15(25(18)24-17)11-7-9-22-10-8-11/h1-10H,(H3,20,21)
InChIKeyKDYJJRYAZMPZNF-UHFFFAOYSA-N
XLogP2.88
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565923
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565620
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
7-fluoroisoquinoline-5-carboximidamide
CID 82573360
2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565734

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565927) is 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is KDYJJRYAZMPZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6/c19-13-3-1-12(2-4-13)17-23-18-14(16(20)21)5-6-15(25(18)24-17)11-7-9-22-10-8-11/h1-10H,(H3,20,21).
What are the key properties of 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 332.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).