3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine

C21H20N8O — CID 59471900

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N8O/c22-19-18(21-28-27-20(30-21)14-4-2-1-3-5-14)26-16(13-25-19)15-6-7-17(24-12-15)29-10-8-23-9-11-29/h1-7,12-13,23H,8-11H2,(H2,22,25)
InChIKeyQMQPOPLKXRVULD-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.25
Rot. Bonds4

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine (PubChem CID 59471900) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
PubChem CID59471900
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N8O/c22-19-18(21-28-27-20(30-21)14-4-2-1-3-5-14)26-16(13-25-19)15-6-7-17(24-12-15)29-10-8-23-9-11-29/h1-7,12-13,23H,8-11H2,(H2,22,25)
InChIKeyQMQPOPLKXRVULD-UHFFFAOYSA-N
XLogP2.25
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine (CID 59471900) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine is Nc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The InChIKey is QMQPOPLKXRVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-19-18(21-28-27-20(30-21)14-4-2-1-3-5-14)26-16(13-25-19)15-6-7-17(24-12-15)29-10-8-23-9-11-29/h1-7,12-13,23H,8-11H2,(H2,22,25).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine has a molecular weight of 400.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 59471900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).