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

C19H15ClN6O2 — CID 91893325

IUPAC3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN6O2/c20-14-3-1-2-12(8-14)18(27)21-10-16-24-23-15-9-13(6-7-26(15)16)19-22-17(25-28-19)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,21,27)
InChIKeyOOIJRYRFCXQFRU-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.24
Rot. Bonds5

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

3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893325) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893325
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN6O2/c20-14-3-1-2-12(8-14)18(27)21-10-16-24-23-15-9-13(6-7-26(15)16)19-22-17(25-28-19)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,21,27)
InChIKeyOOIJRYRFCXQFRU-UHFFFAOYSA-N
XLogP3.24
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893325) is 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is OOIJRYRFCXQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c20-14-3-1-2-12(8-14)18(27)21-10-16-24-23-15-9-13(6-7-26(15)16)19-22-17(25-28-19)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,21,27).
What are the key properties of 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 394.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).