N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H13FN4O2 — CID 134797828

IUPACN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C18H13FN4O2/c19-15-4-1-12(2-5-15)9-20-18(24)13-3-6-16-21-22-17(23(16)10-13)14-7-8-25-11-14/h1-8,10-11H,9H2,(H,20,24)
InChIKeySXCRUXGZZXMPLW-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797828) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797828
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C18H13FN4O2/c19-15-4-1-12(2-5-15)9-20-18(24)13-3-6-16-21-22-17(23(16)10-13)14-7-8-25-11-14/h1-8,10-11H,9H2,(H,20,24)
InChIKeySXCRUXGZZXMPLW-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 N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797828) is N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2nnc(-c3ccoc3)n2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SXCRUXGZZXMPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-15-4-1-12(2-5-15)9-20-18(24)13-3-6-16-21-22-17(23(16)10-13)14-7-8-25-11-14/h1-8,10-11H,9H2,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-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 N-[(4-fluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).