1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone

C23H22N6O3 — CID 135999823

IUPAC1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H22N6O3/c1-15(30)28-10-12-29(13-11-28)22-17-8-5-9-24-19(17)21(31)20(25-22)23-27-26-18(32-23)14-16-6-3-2-4-7-16/h2-9,31H,10-14H2,1H3
InChIKeyKHGZXEAGYSUQKT-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.64
Rot. Bonds4

About 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone

1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone (PubChem CID 135999823) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone
PubChem CID135999823
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H22N6O3/c1-15(30)28-10-12-29(13-11-28)22-17-8-5-9-24-19(17)21(31)20(25-22)23-27-26-18(32-23)14-16-6-3-2-4-7-16/h2-9,31H,10-14H2,1H3
InChIKeyKHGZXEAGYSUQKT-UHFFFAOYSA-N
XLogP2.64
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone (CID 135999823) is 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1.
What is the InChIKey of 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is KHGZXEAGYSUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-15(30)28-10-12-29(13-11-28)22-17-8-5-9-24-19(17)21(31)20(25-22)23-27-26-18(32-23)14-16-6-3-2-4-7-16/h2-9,31H,10-14H2,1H3.
What are the key properties of 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone?
1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 430.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135999823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).