3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one

C16H16N6O2 — CID 153307125

IUPAC3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1cncc2ncn(Cc3nc(C4C5CNCC54)no3)c(=O)c12
InChIInChI=1S/C16H16N6O2/c1-8-2-17-5-11-13(8)16(23)22(7-19-11)6-12-20-15(21-24-12)14-9-3-18-4-10(9)14/h2,5,7,9-10,14,18H,3-4,6H2,1H3
InChIKeyBVHYJOYPQSCUMJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.46
Rot. Bonds3

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

3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 153307125) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID153307125
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1cncc2ncn(Cc3nc(C4C5CNCC54)no3)c(=O)c12
InChIInChI=1S/C16H16N6O2/c1-8-2-17-5-11-13(8)16(23)22(7-19-11)6-12-20-15(21-24-12)14-9-3-18-4-10(9)14/h2,5,7,9-10,14,18H,3-4,6H2,1H3
InChIKeyBVHYJOYPQSCUMJ-UHFFFAOYSA-N
XLogP0.46
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one 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

3-[[3-[(1R,1aS,6aS)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
CID 154984810
3-[[3-[[(6S,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl]methyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
CID 154984999
6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
CID 151683955
3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
CID 142422013
1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 159377704
tert-butyl (1R,5S)-6-[5-[(5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 153307073
1-[[3-[(5S)-3-(5-fluoro-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142422465
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-5,6-dimethylpyrimidin-4-one
CID 126806195
1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 158220417
3-[[3-[3-(4-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 147356334
7-methyl-1-[[3-[(1S,5R)-3-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 153307091
3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
CID 159349630

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one (CID 153307125) is 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one is Cc1cncc2ncn(Cc3nc(C4C5CNCC54)no3)c(=O)c12.
What is the InChIKey of 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BVHYJOYPQSCUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-8-2-17-5-11-13(8)16(23)22(7-19-11)6-12-20-15(21-24-12)14-9-3-18-4-10(9)14/h2,5,7,9-10,14,18H,3-4,6H2,1H3.
What are the key properties of 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one?
3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 324.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 153307125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).