4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C23H23FN6O3 — CID 170344612

IUPAC4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c2ncc(F)cc21
InChIInChI=1S/C23H23FN6O3/c1-28-18-12-16(24)13-25-21(18)30(23(32)22(28)31)17-7-9-29(10-8-17)14-20-26-19(27-33-20)11-15-5-3-2-4-6-15/h2-6,12-13,17H,7-11,14H2,1H3
InChIKeyVFHMCQRUMWYFMF-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.05
Rot. Bonds5

About 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione

4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170344612) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170344612
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c2ncc(F)cc21
InChIInChI=1S/C23H23FN6O3/c1-28-18-12-16(24)13-25-21(18)30(23(32)22(28)31)17-7-9-29(10-8-17)14-20-26-19(27-33-20)11-15-5-3-2-4-6-15/h2-6,12-13,17H,7-11,14H2,1H3
InChIKeyVFHMCQRUMWYFMF-UHFFFAOYSA-N
XLogP2.05
TPSA99.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione 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-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
3-benzyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 167801523
3-[(3-fluorophenyl)methyl]-5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 45242569
1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195309
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79874615
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 163381763
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
7-chloro-4-[1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381764
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 170344612) is 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c2ncc(F)cc21.
What is the InChIKey of 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is VFHMCQRUMWYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-28-18-12-16(24)13-25-21(18)30(23(32)22(28)31)17-7-9-29(10-8-17)14-20-26-19(27-33-20)11-15-5-3-2-4-6-15/h2-6,12-13,17H,7-11,14H2,1H3.
What are the key properties of 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 450.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-7-fluoro-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170344612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).