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

C22H17FN6O4 — CID 135869559

IUPAC4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1
InChIInChI=1S/C22H17FN6O4/c23-13-5-3-12(4-6-13)10-16-27-28-21(33-16)19-20(31)17-14(2-1-7-25-17)18(26-19)22(32)29-9-8-24-15(30)11-29/h1-7,31H,8-11H2,(H,24,30)
InChIKeyHFRKFXOCBIXGHM-UHFFFAOYSA-N
MW448.41 g/mol
LogP1.69
Rot. Bonds4

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

4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one (PubChem CID 135869559) has the molecular formula C22H17FN6O4 and a molecular weight of 448.41 g/mol. Its IUPAC name is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one
PubChem CID135869559
Molecular FormulaC22H17FN6O4
Molecular Weight448.41 g/mol
Exact Mass448.13
IUPAC Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1
InChIInChI=1S/C22H17FN6O4/c23-13-5-3-12(4-6-13)10-16-27-28-21(33-16)19-20(31)17-14(2-1-7-25-17)18(26-19)22(32)29-9-8-24-15(30)11-29/h1-7,31H,8-11H2,(H,24,30)
InChIKeyHFRKFXOCBIXGHM-UHFFFAOYSA-N
XLogP1.69
TPSA134.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one?
The IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one (CID 135869559) is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1.
What is the InChIKey of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one?
The InChIKey is HFRKFXOCBIXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O4/c23-13-5-3-12(4-6-13)10-16-27-28-21(33-16)19-20(31)17-14(2-1-7-25-17)18(26-19)22(32)29-9-8-24-15(30)11-29/h1-7,31H,8-11H2,(H,24,30).
What are the key properties of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one?
4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one has a molecular weight of 448.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridine-5-carbonyl]piperazin-2-one is sourced from PubChem (CID 135869559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).