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

C23H20FN5O4 — CID 135869558

IUPAC[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCC(O)CC1
InChIInChI=1S/C23H20FN5O4/c24-14-5-3-13(4-6-14)12-17-27-28-22(33-17)20-21(31)18-16(2-1-9-25-18)19(26-20)23(32)29-10-7-15(30)8-11-29/h1-6,9,15,30-31H,7-8,10-12H2
InChIKeyPZGRCTPPFRAWNF-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.71
Rot. Bonds4

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

[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 135869558) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID135869558
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCC(O)CC1
InChIInChI=1S/C23H20FN5O4/c24-14-5-3-13(4-6-14)12-17-27-28-22(33-17)20-21(31)18-16(2-1-9-25-18)19(26-20)23(32)29-10-7-15(30)8-11-29/h1-6,9,15,30-31H,7-8,10-12H2
InChIKeyPZGRCTPPFRAWNF-UHFFFAOYSA-N
XLogP2.71
TPSA125.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 135869558) is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCC(O)CC1.
What is the InChIKey of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is PZGRCTPPFRAWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c24-14-5-3-13(4-6-14)12-17-27-28-22(33-17)20-21(31)18-16(2-1-9-25-18)19(26-20)23(32)29-10-7-15(30)8-11-29/h1-6,9,15,30-31H,7-8,10-12H2.
What are the key properties of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 449.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 135869558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).