6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one

C23H24N6O2 — CID 142714839

IUPAC6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(Cc2cccc(=O)[nH]2)n1
InChIInChI=1S/C23H24N6O2/c1-14(2)23(3,17-9-7-15(8-10-17)16-12-25-22(24)26-13-16)21-28-20(31-29-21)11-18-5-4-6-19(30)27-18/h4-10,12-14H,11H2,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyPUZTXGJNZZPUSN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.35
Rot. Bonds6

About 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one

6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one (PubChem CID 142714839) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one
PubChem CID142714839
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(Cc2cccc(=O)[nH]2)n1
InChIInChI=1S/C23H24N6O2/c1-14(2)23(3,17-9-7-15(8-10-17)16-12-25-22(24)26-13-16)21-28-20(31-29-21)11-18-5-4-6-19(30)27-18/h4-10,12-14H,11H2,1-3H3,(H,27,30)(H2,24,25,26)
InChIKeyPUZTXGJNZZPUSN-UHFFFAOYSA-N
XLogP3.35
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one (CID 142714839) is 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(Cc2cccc(=O)[nH]2)n1.
What is the InChIKey of 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one?
The InChIKey is PUZTXGJNZZPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14(2)23(3,17-9-7-15(8-10-17)16-12-25-22(24)26-13-16)21-28-20(31-29-21)11-18-5-4-6-19(30)27-18/h4-10,12-14H,11H2,1-3H3,(H,27,30)(H2,24,25,26).
What are the key properties of 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one?
6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one has a molecular weight of 416.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 142714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).