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

C20H19FN6O3 — CID 91893295

IUPAC3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1F
InChIInChI=1S/C20H19FN6O3/c1-11(2)18-23-20(30-26-18)13-6-7-27-16(9-13)24-25-17(27)10-22-19(28)12-4-5-15(29-3)14(21)8-12/h4-9,11H,10H2,1-3H3,(H,22,28)
InChIKeyZQQDSNQRINAMDI-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.98
Rot. Bonds6

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

3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893295) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893295
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1F
InChIInChI=1S/C20H19FN6O3/c1-11(2)18-23-20(30-26-18)13-6-7-27-16(9-13)24-25-17(27)10-22-19(28)12-4-5-15(29-3)14(21)8-12/h4-9,11H,10H2,1-3H3,(H,22,28)
InChIKeyZQQDSNQRINAMDI-UHFFFAOYSA-N
XLogP2.98
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893295) is 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-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-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is ZQQDSNQRINAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-11(2)18-23-20(30-26-18)13-6-7-27-16(9-13)24-25-17(27)10-22-19(28)12-4-5-15(29-3)14(21)8-12/h4-9,11H,10H2,1-3H3,(H,22,28).
What are the key properties of 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 410.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).