2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine

C15H18F3N5 — CID 100664258

IUPAC2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C15H18F3N5/c1-9-6-19-10(2)14(21-9)23-5-3-4-11(8-23)13-20-7-12(22-13)15(16,17)18/h6-7,11H,3-5,8H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyWDFFBQBAPNESNA-NSHDSACASA-N
MW325.34 g/mol
LogP3.22
Rot. Bonds2

About 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine

2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine (PubChem CID 100664258) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
PubChem CID100664258
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C15H18F3N5/c1-9-6-19-10(2)14(21-9)23-5-3-4-11(8-23)13-20-7-12(22-13)15(16,17)18/h6-7,11H,3-5,8H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyWDFFBQBAPNESNA-NSHDSACASA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine (CID 100664258) is 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1.
What is the InChIKey of 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is WDFFBQBAPNESNA-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F3N5/c1-9-6-19-10(2)14(21-9)23-5-3-4-11(8-23)13-20-7-12(22-13)15(16,17)18/h6-7,11H,3-5,8H2,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 325.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 100664258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).