5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole

C26H19FN6O2 — CID 177181288

IUPAC5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ncnc(C2CC2)c1-c1ccc(-c2nc(-c3ccc(-c4ccccn4)nc3)no2)c(F)c1
InChIInChI=1S/C26H19FN6O2/c1-34-26-22(23(15-5-6-15)30-14-31-26)16-7-9-18(19(27)12-16)25-32-24(33-35-25)17-8-10-21(29-13-17)20-4-2-3-11-28-20/h2-4,7-15H,5-6H2,1H3
InChIKeyGYJBDGJGLOEMAV-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.34
Rot. Bonds6

About 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole

5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 177181288) has the molecular formula C26H19FN6O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID177181288
Molecular FormulaC26H19FN6O2
Molecular Weight466.48 g/mol
Exact Mass466.16
IUPAC Name5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ncnc(C2CC2)c1-c1ccc(-c2nc(-c3ccc(-c4ccccn4)nc3)no2)c(F)c1
InChIInChI=1S/C26H19FN6O2/c1-34-26-22(23(15-5-6-15)30-14-31-26)16-7-9-18(19(27)12-16)25-32-24(33-35-25)17-8-10-21(29-13-17)20-4-2-3-11-28-20/h2-4,7-15H,5-6H2,1H3
InChIKeyGYJBDGJGLOEMAV-UHFFFAOYSA-N
XLogP5.34
TPSA99.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 177181288) is 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole is COc1ncnc(C2CC2)c1-c1ccc(-c2nc(-c3ccc(-c4ccccn4)nc3)no2)c(F)c1.
What is the InChIKey of 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GYJBDGJGLOEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O2/c1-34-26-22(23(15-5-6-15)30-14-31-26)16-7-9-18(19(27)12-16)25-32-24(33-35-25)17-8-10-21(29-13-17)20-4-2-3-11-28-20/h2-4,7-15H,5-6H2,1H3.
What are the key properties of 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 466.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-fluorophenyl]-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 177181288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).