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

C21H13FN6O2 — CID 135430152

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cnccn2)c2cccnc12
InChIInChI=1S/C21H13FN6O2/c22-13-5-3-12(4-6-13)10-16-27-28-21(30-16)19-20(29)18-14(2-1-7-25-18)17(26-19)15-11-23-8-9-24-15/h1-9,11,29H,10H2
InChIKeyHRHATTAFJPWMSS-UHFFFAOYSA-N
MW400.37 g/mol
LogP3.57
Rot. Bonds4

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

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol (PubChem CID 135430152) has the molecular formula C21H13FN6O2 and a molecular weight of 400.37 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol
PubChem CID135430152
Molecular FormulaC21H13FN6O2
Molecular Weight400.37 g/mol
Exact Mass400.11
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cnccn2)c2cccnc12
InChIInChI=1S/C21H13FN6O2/c22-13-5-3-12(4-6-13)10-16-27-28-21(30-16)19-20(29)18-14(2-1-7-25-18)17(26-19)15-11-23-8-9-24-15/h1-9,11,29H,10H2
InChIKeyHRHATTAFJPWMSS-UHFFFAOYSA-N
XLogP3.57
TPSA110.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
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]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol (CID 135430152) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol is Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cnccn2)c2cccnc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol?
The InChIKey is HRHATTAFJPWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6O2/c22-13-5-3-12(4-6-13)10-16-27-28-21(30-16)19-20(29)18-14(2-1-7-25-18)17(26-19)15-11-23-8-9-24-15/h1-9,11,29H,10H2.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol has a molecular weight of 400.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 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]-5-pyrazin-2-yl-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135430152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).