2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine

C16H20F3N5O — CID 133484127

IUPAC2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCC(C)Oc1cncc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1
InChIInChI=1S/C16H20F3N5O/c1-10(2)25-14-9-20-8-13(23-14)24-5-3-11(4-6-24)15-21-7-12(22-15)16(17,18)19/h7-11H,3-6H2,1-2H3,(H,21,22)
InChIKeyRMRJKVAXYYKZEK-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.39
Rot. Bonds4

About 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine

2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine (PubChem CID 133484127) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
PubChem CID133484127
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCC(C)Oc1cncc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1
InChIInChI=1S/C16H20F3N5O/c1-10(2)25-14-9-20-8-13(23-14)24-5-3-11(4-6-24)15-21-7-12(22-15)16(17,18)19/h7-11H,3-6H2,1-2H3,(H,21,22)
InChIKeyRMRJKVAXYYKZEK-UHFFFAOYSA-N
XLogP3.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine 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 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine (CID 133484127) is 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine is CC(C)Oc1cncc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1.
What is the InChIKey of 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is RMRJKVAXYYKZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-10(2)25-14-9-20-8-13(23-14)24-5-3-11(4-6-24)15-21-7-12(22-15)16(17,18)19/h7-11H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine?
2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 355.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 133484127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).