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

C27H32F3N7O2 — CID 58186797

IUPAC[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C27H32F3N7O2/c1-4-21-16-36(24-17(2)32-23(15-31-24)25-34-33-18(3)39-25)13-14-37(21)22-9-11-35(12-10-22)26(38)19-5-7-20(8-6-19)27(28,29)30/h5-8,15,21-22H,4,9-14,16H2,1-3H3/t21-/m0/s1
InChIKeyXXJCKFRVPTXNSO-NRFANRHFSA-N
MW543.59 g/mol
LogP4.37
Rot. Bonds5

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

[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 58186797) has the molecular formula C27H32F3N7O2 and a molecular weight of 543.59 g/mol. Its IUPAC name is [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID58186797
Molecular FormulaC27H32F3N7O2
Molecular Weight543.59 g/mol
Exact Mass543.26
IUPAC Name[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC[C@H]1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C27H32F3N7O2/c1-4-21-16-36(24-17(2)32-23(15-31-24)25-34-33-18(3)39-25)13-14-37(21)22-9-11-35(12-10-22)26(38)19-5-7-20(8-6-19)27(28,29)30/h5-8,15,21-22H,4,9-14,16H2,1-3H3/t21-/m0/s1
InChIKeyXXJCKFRVPTXNSO-NRFANRHFSA-N
XLogP4.37
TPSA91.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 58186797) is [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CC[C@H]1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XXJCKFRVPTXNSO-NRFANRHFSA-N. The full InChI is InChI=1S/C27H32F3N7O2/c1-4-21-16-36(24-17(2)32-23(15-31-24)25-34-33-18(3)39-25)13-14-37(21)22-9-11-35(12-10-22)26(38)19-5-7-20(8-6-19)27(28,29)30/h5-8,15,21-22H,4,9-14,16H2,1-3H3/t21-/m0/s1.
What are the key properties of [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 543.59 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 58186797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).