1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one

C21H17FN6O3 — CID 135540515

IUPAC1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one
SMILESO=C1CNCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H17FN6O3/c22-13-5-3-12(4-6-13)10-15-26-27-21(31-15)18-19(30)17-14(2-1-7-24-17)20(25-18)28-9-8-23-11-16(28)29/h1-7,23,30H,8-11H2
InChIKeyXEFIDAFGQLWWHR-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.05
Rot. Bonds4

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

1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one (PubChem CID 135540515) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one
PubChem CID135540515
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one
SMILESO=C1CNCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H17FN6O3/c22-13-5-3-12(4-6-13)10-15-26-27-21(31-15)18-19(30)17-14(2-1-7-24-17)20(25-18)28-9-8-23-11-16(28)29/h1-7,23,30H,8-11H2
InChIKeyXEFIDAFGQLWWHR-UHFFFAOYSA-N
XLogP2.05
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one?
The IUPAC name of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one (CID 135540515) is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one?
The canonical SMILES for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one is O=C1CNCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one?
The InChIKey is XEFIDAFGQLWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c22-13-5-3-12(4-6-13)10-15-26-27-21(31-15)18-19(30)17-14(2-1-7-24-17)20(25-18)28-9-8-23-11-16(28)29/h1-7,23,30H,8-11H2.
What are the key properties of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one?
1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one has a molecular weight of 420.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-2-one is sourced from PubChem (CID 135540515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).