3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H15F3N4O2 — CID 134797823

IUPAC3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccco3)n2c1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)15-4-1-3-13(9-15)11-24-19(28)14-6-7-17-25-26-18(27(17)12-14)10-16-5-2-8-29-16/h1-9,12H,10-11H2,(H,24,28)
InChIKeyHJHBDOVKGPRJCV-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.86
Rot. Bonds5

About 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797823) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797823
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccco3)n2c1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)15-4-1-3-13(9-15)11-24-19(28)14-6-7-17-25-26-18(27(17)12-14)10-16-5-2-8-29-16/h1-9,12H,10-11H2,(H,24,28)
InChIKeyHJHBDOVKGPRJCV-UHFFFAOYSA-N
XLogP3.86
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797823) is 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccco3)n2c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is HJHBDOVKGPRJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)15-4-1-3-13(9-15)11-24-19(28)14-6-7-17-25-26-18(27(17)12-14)10-16-5-2-8-29-16/h1-9,12H,10-11H2,(H,24,28).
What are the key properties of 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).