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

C24H21FN6O2 — CID 149487652

IUPAC[2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21FN6O2/c1-15-21(23-30-29-22(33-23)16-5-3-2-4-6-16)28-20(14-27-15)17-7-8-18(19(25)13-17)24(32)31-11-9-26-10-12-31/h2-8,13-14,26H,9-12H2,1H3
InChIKeyZEMIMYXXBKAEIA-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.35
Rot. Bonds4

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

[2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 149487652) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID149487652
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name[2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21FN6O2/c1-15-21(23-30-29-22(33-23)16-5-3-2-4-6-16)28-20(14-27-15)17-7-8-18(19(25)13-17)24(32)31-11-9-26-10-12-31/h2-8,13-14,26H,9-12H2,1H3
InChIKeyZEMIMYXXBKAEIA-UHFFFAOYSA-N
XLogP3.35
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 149487652) is [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is Cc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is ZEMIMYXXBKAEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-15-21(23-30-29-22(33-23)16-5-3-2-4-6-16)28-20(14-27-15)17-7-8-18(19(25)13-17)24(32)31-11-9-26-10-12-31/h2-8,13-14,26H,9-12H2,1H3.
What are the key properties of [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 444.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 149487652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).