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

C23H20FN5O3 — CID 135869510

IUPAC1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-2-one
SMILESO=C1CCCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C23H20FN5O3/c24-15-9-7-14(8-10-15)13-17-27-28-23(32-17)20-21(31)19-16(5-4-11-25-19)22(26-20)29-12-3-1-2-6-18(29)30/h4-5,7-11,31H,1-3,6,12-13H2
InChIKeyKPMPPXUKYTVSCG-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.02
Rot. Bonds4

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

1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-2-one (PubChem CID 135869510) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 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]azepan-2-one.

Molecular Properties

Compound Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-2-one
PubChem CID135869510
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-2-one
SMILESO=C1CCCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C23H20FN5O3/c24-15-9-7-14(8-10-15)13-17-27-28-23(32-17)20-21(31)19-16(5-4-11-25-19)22(26-20)29-12-3-1-2-6-18(29)30/h4-5,7-11,31H,1-3,6,12-13H2
InChIKeyKPMPPXUKYTVSCG-UHFFFAOYSA-N
XLogP4.02
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]azepan-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]azepan-2-one (CID 135869510) is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-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]azepan-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]azepan-2-one is O=C1CCCCCN1c1nc(-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]azepan-2-one?
The InChIKey is KPMPPXUKYTVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c24-15-9-7-14(8-10-15)13-17-27-28-23(32-17)20-21(31)19-16(5-4-11-25-19)22(26-20)29-12-3-1-2-6-18(29)30/h4-5,7-11,31H,1-3,6,12-13H2.
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]azepan-2-one?
1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]azepan-2-one has a molecular weight of 433.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]azepan-2-one is sourced from PubChem (CID 135869510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).