7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol

C25H22N8O2 — CID 135540541

IUPAC7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccccc3)o2)nc(N2CCN(c3cnccn3)CC2)c2cccnc12
InChIInChI=1S/C25H22N8O2/c34-23-21-18(7-4-8-28-21)24(33-13-11-32(12-14-33)19-16-26-9-10-27-19)29-22(23)25-31-30-20(35-25)15-17-5-2-1-3-6-17/h1-10,16,34H,11-15H2
InChIKeyYNCLGLAAQOWSDU-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.09
Rot. Bonds5

About 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol

7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol (PubChem CID 135540541) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol
PubChem CID135540541
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccccc3)o2)nc(N2CCN(c3cnccn3)CC2)c2cccnc12
InChIInChI=1S/C25H22N8O2/c34-23-21-18(7-4-8-28-21)24(33-13-11-32(12-14-33)19-16-26-9-10-27-19)29-22(23)25-31-30-20(35-25)15-17-5-2-1-3-6-17/h1-10,16,34H,11-15H2
InChIKeyYNCLGLAAQOWSDU-UHFFFAOYSA-N
XLogP3.09
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol (CID 135540541) is 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol is Oc1c(-c2nnc(Cc3ccccc3)o2)nc(N2CCN(c3cnccn3)CC2)c2cccnc12.
What is the InChIKey of 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The InChIKey is YNCLGLAAQOWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c34-23-21-18(7-4-8-28-21)24(33-13-11-32(12-14-33)19-16-26-9-10-27-19)29-22(23)25-31-30-20(35-25)15-17-5-2-1-3-6-17/h1-10,16,34H,11-15H2.
What are the key properties of 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol has a molecular weight of 466.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135540541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).