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

C24H20F3N7O2 — CID 59471711

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)18-13-34(11-10-29-18)23(35)16-8-6-14(7-9-16)17-12-30-20(28)19(31-17)22-33-32-21(36-22)15-4-2-1-3-5-15/h1-9,12,18,29H,10-11,13H2,(H2,28,30)
InChIKeyWZHCTFDMKCVHDT-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.42
Rot. Bonds4

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 59471711) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID59471711
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)18-13-34(11-10-29-18)23(35)16-8-6-14(7-9-16)17-12-30-20(28)19(31-17)22-33-32-21(36-22)15-4-2-1-3-5-15/h1-9,12,18,29H,10-11,13H2,(H2,28,30)
InChIKeyWZHCTFDMKCVHDT-UHFFFAOYSA-N
XLogP3.42
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.42
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]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone (CID 59471711) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone is Nc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is WZHCTFDMKCVHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c25-24(26,27)18-13-34(11-10-29-18)23(35)16-8-6-14(7-9-16)17-12-30-20(28)19(31-17)22-33-32-21(36-22)15-4-2-1-3-5-15/h1-9,12,18,29H,10-11,13H2,(H2,28,30).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 495.47 g/mol, XLogP of 3.42, 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]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 59471711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).