7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol

C22H14FN5O2 — CID 135869529

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccncc2)c2cccnc12
InChIInChI=1S/C22H14FN5O2/c23-15-5-3-13(4-6-15)12-17-27-28-22(30-17)20-21(29)19-16(2-1-9-25-19)18(26-20)14-7-10-24-11-8-14/h1-11,29H,12H2
InChIKeyIUMHLAGWWNQZDQ-UHFFFAOYSA-N
MW399.39 g/mol
LogP4.18
Rot. Bonds4

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

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol (PubChem CID 135869529) has the molecular formula C22H14FN5O2 and a molecular weight of 399.39 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol
PubChem CID135869529
Molecular FormulaC22H14FN5O2
Molecular Weight399.39 g/mol
Exact Mass399.11
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccncc2)c2cccnc12
InChIInChI=1S/C22H14FN5O2/c23-15-5-3-13(4-6-15)12-17-27-28-22(30-17)20-21(29)19-16(2-1-9-25-19)18(26-20)14-7-10-24-11-8-14/h1-11,29H,12H2
InChIKeyIUMHLAGWWNQZDQ-UHFFFAOYSA-N
XLogP4.18
TPSA97.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol (CID 135869529) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol is Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccncc2)c2cccnc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol?
The InChIKey is IUMHLAGWWNQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O2/c23-15-5-3-13(4-6-15)12-17-27-28-22(30-17)20-21(29)19-16(2-1-9-25-19)18(26-20)14-7-10-24-11-8-14/h1-11,29H,12H2.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol has a molecular weight of 399.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyridin-4-yl-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135869529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).