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

C21H16FN5O3 — CID 135869508

IUPAC1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H16FN5O3/c22-13-7-5-12(6-8-13)11-15-25-26-21(30-15)18-19(29)17-14(3-1-9-23-17)20(24-18)27-10-2-4-16(27)28/h1,3,5-9,29H,2,4,10-11H2
InChIKeyKYLADZIJBXSIDN-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.24
Rot. Bonds4

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

1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one (PubChem CID 135869508) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 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]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one
PubChem CID135869508
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H16FN5O3/c22-13-7-5-12(6-8-13)11-15-25-26-21(30-15)18-19(29)17-14(3-1-9-23-17)20(24-18)27-10-2-4-16(27)28/h1,3,5-9,29H,2,4,10-11H2
InChIKeyKYLADZIJBXSIDN-UHFFFAOYSA-N
XLogP3.24
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.24
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]pyrrolidin-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]pyrrolidin-2-one (CID 135869508) is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-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]pyrrolidin-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]pyrrolidin-2-one is O=C1CCCN1c1nc(-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]pyrrolidin-2-one?
The InChIKey is KYLADZIJBXSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c22-13-7-5-12(6-8-13)11-15-25-26-21(30-15)18-19(29)17-14(3-1-9-23-17)20(24-18)27-10-2-4-16(27)28/h1,3,5-9,29H,2,4,10-11H2.
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]pyrrolidin-2-one?
1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]pyrrolidin-2-one has a molecular weight of 405.39 g/mol, XLogP of 3.24, 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]pyrrolidin-2-one is sourced from PubChem (CID 135869508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).