6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

C22H18FN5O2 — CID 149496879

IUPAC6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1Cc1nc(C2C3CN(c4cccc(F)c4)CC32)no1
InChIInChI=1S/C22H18FN5O2/c23-13-3-1-4-14(9-13)28-10-16-17(11-28)20(16)21-25-19(30-26-21)12-27-8-6-18-15(22(27)29)5-2-7-24-18/h1-9,16-17,20H,10-12H2
InChIKeyZGFCOTQAFWOUMU-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.82
Rot. Bonds4

About 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (PubChem CID 149496879) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
PubChem CID149496879
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESO=c1c2cccnc2ccn1Cc1nc(C2C3CN(c4cccc(F)c4)CC32)no1
InChIInChI=1S/C22H18FN5O2/c23-13-3-1-4-14(9-13)28-10-16-17(11-28)20(16)21-25-19(30-26-21)12-27-8-6-18-15(22(27)29)5-2-7-24-18/h1-9,16-17,20H,10-12H2
InChIKeyZGFCOTQAFWOUMU-UHFFFAOYSA-N
XLogP2.82
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (CID 149496879) is 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is O=c1c2cccnc2ccn1Cc1nc(C2C3CN(c4cccc(F)c4)CC32)no1.
What is the InChIKey of 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The InChIKey is ZGFCOTQAFWOUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-13-3-1-4-14(9-13)28-10-16-17(11-28)20(16)21-25-19(30-26-21)12-27-8-6-18-15(22(27)29)5-2-7-24-18/h1-9,16-17,20H,10-12H2.
What are the key properties of 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one has a molecular weight of 403.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 149496879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).