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

C20H14FN6O2+ — CID 135964634

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-[n+]2ccc[nH]2)c2cccnc12
InChIInChI=1S/C20H13FN6O2/c21-13-6-4-12(5-7-13)11-15-25-26-20(29-15)17-18(28)16-14(3-1-8-22-16)19(24-17)27-10-2-9-23-27/h1-10H,11H2,(H,26,28)/p+1
InChIKeyZUEMHBWYXIMRLY-UHFFFAOYSA-O
MW389.37 g/mol
LogP2.72
Rot. Bonds4

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

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol (PubChem CID 135964634) has the molecular formula C20H14FN6O2+ and a molecular weight of 389.37 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol
PubChem CID135964634
Molecular FormulaC20H14FN6O2+
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-[n+]2ccc[nH]2)c2cccnc12
InChIInChI=1S/C20H13FN6O2/c21-13-6-4-12(5-7-13)11-15-25-26-20(29-15)17-18(28)16-14(3-1-8-22-16)19(24-17)27-10-2-9-23-27/h1-10H,11H2,(H,26,28)/p+1
InChIKeyZUEMHBWYXIMRLY-UHFFFAOYSA-O
XLogP2.72
TPSA104.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2-pyridyl)-1,6-naphthyridin-8-ol
CID 135421300
4-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-N,N-dimethyl-3-oxopiperazine-1-carboxamide
CID 135451034
1-[7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]hexahydropyrimidin-2-one
CID 135508477
N-[4-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)phenyl]acetamide
CID 135518325
7-(5-Benzyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-8-ol
CID 135519340
7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,6-naphthyridin-8-ol
CID 135524880
3-[7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]oxazolidin-2-one
CID 135524943
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)piperazin-2-one
CID 135540515
2-[5-(Dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 135540532
4-(7-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-N-(propan-2-yl)benzamide
CID 135545469
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)pyrrolidin-2-one
CID 135869508
1-(7-{5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-8-hydroxy-1,6-naphthyridin-5-yl)piperidin-2-one
CID 135869509

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol (CID 135964634) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-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-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol is Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-[n+]2ccc[nH]2)c2cccnc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol?
The InChIKey is ZUEMHBWYXIMRLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H13FN6O2/c21-13-6-4-12(5-7-13)11-15-25-26-20(29-15)17-18(28)16-14(3-1-8-22-16)19(24-17)27-10-2-9-23-27/h1-10H,11H2,(H,26,28)/p+1.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol has a molecular weight of 389.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).