N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide

C19H14F2N6O2 — CID 91893309

IUPACN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1c(F)cccc1F
InChIInChI=1S/C19H14F2N6O2/c20-12-2-1-3-13(21)16(12)18(28)22-9-15-25-24-14-8-11(6-7-27(14)15)19-23-17(26-29-19)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,22,28)
InChIKeyGLOCHEOCWGATBJ-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.86
Rot. Bonds5

About N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide

N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide (PubChem CID 91893309) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide
PubChem CID91893309
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1c(F)cccc1F
InChIInChI=1S/C19H14F2N6O2/c20-12-2-1-3-13(21)16(12)18(28)22-9-15-25-24-14-8-11(6-7-27(14)15)19-23-17(26-29-19)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,22,28)
InChIKeyGLOCHEOCWGATBJ-UHFFFAOYSA-N
XLogP2.86
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide (CID 91893309) is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide is O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1c(F)cccc1F.
What is the InChIKey of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide?
The InChIKey is GLOCHEOCWGATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-12-2-1-3-13(21)16(12)18(28)22-9-15-25-24-14-8-11(6-7-27(14)15)19-23-17(26-29-19)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,22,28).
What are the key properties of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide?
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide has a molecular weight of 396.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 91893309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).