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

C25H21F3N6O2 — CID 149407816

IUPAC[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C25H21F3N6O2/c1-15-21(23-33-32-22(36-23)17-5-3-2-4-6-17)31-19(13-30-15)16-7-9-18(10-8-16)24(35)34-12-11-29-20(14-34)25(26,27)28/h2-10,13,20,29H,11-12,14H2,1H3
InChIKeyYQQJZXMCMQSTFT-UHFFFAOYSA-N
MW494.48 g/mol
LogP4.15
Rot. Bonds4

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

[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 149407816) has the molecular formula C25H21F3N6O2 and a molecular weight of 494.48 g/mol. Its IUPAC name is [4-[5-methyl-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-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID149407816
Molecular FormulaC25H21F3N6O2
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Name[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C25H21F3N6O2/c1-15-21(23-33-32-22(36-23)17-5-3-2-4-6-17)31-19(13-30-15)16-7-9-18(10-8-16)24(35)34-12-11-29-20(14-34)25(26,27)28/h2-10,13,20,29H,11-12,14H2,1H3
InChIKeyYQQJZXMCMQSTFT-UHFFFAOYSA-N
XLogP4.15
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-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-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone (CID 149407816) is [4-[5-methyl-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-methyl-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-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone is Cc1ncc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is YQQJZXMCMQSTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O2/c1-15-21(23-33-32-22(36-23)17-5-3-2-4-6-17)31-19(13-30-15)16-7-9-18(10-8-16)24(35)34-12-11-29-20(14-34)25(26,27)28/h2-10,13,20,29H,11-12,14H2,1H3.
What are the key properties of [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone?
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 494.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 149407816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).