3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H13FN4O2 — CID 46367511

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccco1)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C18H13FN4O2/c19-13-7-5-12(6-8-13)16-21-22-17-15(4-1-9-23(16)17)18(24)20-11-14-3-2-10-25-14/h1-10H,11H2,(H,20,24)
InChIKeyYDMVWJFYJWDSRP-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.06
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46367511) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46367511
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccco1)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C18H13FN4O2/c19-13-7-5-12(6-8-13)16-21-22-17-15(4-1-9-23(16)17)18(24)20-11-14-3-2-10-25-14/h1-10H,11H2,(H,20,24)
InChIKeyYDMVWJFYJWDSRP-UHFFFAOYSA-N
XLogP3.06
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46367511) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCc1ccco1)c1cccn2c(-c3ccc(F)cc3)nnc12.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is YDMVWJFYJWDSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-13-7-5-12(6-8-13)16-21-22-17-15(4-1-9-23(16)17)18(24)20-11-14-3-2-10-25-14/h1-10H,11H2,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46367511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).