[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone

C23H20FN7O2 — CID 59472331

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20FN7O2/c24-17-12-15(6-7-16(17)23(32)31-10-8-26-9-11-31)18-13-27-20(25)19(28-18)22-30-29-21(33-22)14-4-2-1-3-5-14/h1-7,12-13,26H,8-11H2,(H2,25,27)
InChIKeyIQWMDQZKWMSZLQ-UHFFFAOYSA-N
MW445.46 g/mol
LogP2.63
Rot. Bonds4

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone (PubChem CID 59472331) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
PubChem CID59472331
Molecular FormulaC23H20FN7O2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20FN7O2/c24-17-12-15(6-7-16(17)23(32)31-10-8-26-9-11-31)18-13-27-20(25)19(28-18)22-30-29-21(33-22)14-4-2-1-3-5-14/h1-7,12-13,26H,8-11H2,(H2,25,27)
InChIKeyIQWMDQZKWMSZLQ-UHFFFAOYSA-N
XLogP2.63
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone (CID 59472331) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The InChIKey is IQWMDQZKWMSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c24-17-12-15(6-7-16(17)23(32)31-10-8-26-9-11-31)18-13-27-20(25)19(28-18)22-30-29-21(33-22)14-4-2-1-3-5-14/h1-7,12-13,26H,8-11H2,(H2,25,27).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone has a molecular weight of 445.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).