5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C18H22FN7O2 — CID 56715845

IUPAC5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCNc1nc2nonc2nc1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN7O2/c1-27-10-5-20-17-18(22-16-15(21-17)23-28-24-16)26-8-6-25(7-9-26)12-13-3-2-4-14(19)11-13/h2-4,11H,5-10,12H2,1H3,(H,20,21,23)
InChIKeyJTUJZQSEWLTPDX-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.53
Rot. Bonds7

About 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 56715845) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID56715845
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOCCNc1nc2nonc2nc1N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H22FN7O2/c1-27-10-5-20-17-18(22-16-15(21-17)23-28-24-16)26-8-6-25(7-9-26)12-13-3-2-4-14(19)11-13/h2-4,11H,5-10,12H2,1H3,(H,20,21,23)
InChIKeyJTUJZQSEWLTPDX-UHFFFAOYSA-N
XLogP1.53
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine 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 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 56715845) is 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COCCNc1nc2nonc2nc1N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is JTUJZQSEWLTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O2/c1-27-10-5-20-17-18(22-16-15(21-17)23-28-24-16)26-8-6-25(7-9-26)12-13-3-2-4-14(19)11-13/h2-4,11H,5-10,12H2,1H3,(H,20,21,23).
What are the key properties of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 387.42 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 56715845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).