2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

C16H20F3N5 — CID 129351080

IUPAC2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H20F3N5/c1-10-7-20-11(2)14(21-10)24-6-4-5-12(8-24)15-22-13(9-23(15)3)16(17,18)19/h7,9,12H,4-6,8H2,1-3H3/t12-/m0/s1
InChIKeyUEYZOYXEWLTCJY-LBPRGKRZSA-N
MW339.37 g/mol
LogP3.23
Rot. Bonds2

About 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (PubChem CID 129351080) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
PubChem CID129351080
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H20F3N5/c1-10-7-20-11(2)14(21-10)24-6-4-5-12(8-24)15-22-13(9-23(15)3)16(17,18)19/h7,9,12H,4-6,8H2,1-3H3/t12-/m0/s1
InChIKeyUEYZOYXEWLTCJY-LBPRGKRZSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (CID 129351080) is 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n1.
What is the InChIKey of 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is UEYZOYXEWLTCJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-10-7-20-11(2)14(21-10)24-6-4-5-12(8-24)15-22-13(9-23(15)3)16(17,18)19/h7,9,12H,4-6,8H2,1-3H3/t12-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 339.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 129351080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).