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

C21H20FN7O — CID 1272323

IUPAC5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H20FN7O/c22-16-8-4-5-9-17(16)23-20-21(25-19-18(24-20)26-30-27-19)29-12-10-28(11-13-29)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24,26)
InChIKeyFVHYRFJQYXPFAZ-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.22
Rot. Bonds5

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

5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 1272323) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID1272323
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H20FN7O/c22-16-8-4-5-9-17(16)23-20-21(25-19-18(24-20)26-30-27-19)29-12-10-28(11-13-29)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24,26)
InChIKeyFVHYRFJQYXPFAZ-UHFFFAOYSA-N
XLogP3.22
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 1272323) is 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Fc1ccccc1Nc1nc2nonc2nc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is FVHYRFJQYXPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-16-8-4-5-9-17(16)23-20-21(25-19-18(24-20)26-30-27-19)29-12-10-28(11-13-29)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24,26).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 405.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 1272323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).