2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine

C16H16BrF3N4O — CID 171701075

IUPAC2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)n1
InChIInChI=1S/C16H16BrF3N4O/c1-10-7-21-9-14(23-10)25-12-2-4-24(5-3-12)15-13(17)6-11(8-22-15)16(18,19)20/h6-9,12H,2-5H2,1H3
InChIKeyRUFLYQDOPDMVKN-UHFFFAOYSA-N
MW417.23 g/mol
LogP4.01
Rot. Bonds3

About 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine

2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171701075) has the molecular formula C16H16BrF3N4O and a molecular weight of 417.23 g/mol. Its IUPAC name is 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171701075
Molecular FormulaC16H16BrF3N4O
Molecular Weight417.23 g/mol
Exact Mass416.05
IUPAC Name2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)n1
InChIInChI=1S/C16H16BrF3N4O/c1-10-7-21-9-14(23-10)25-12-2-4-24(5-3-12)15-13(17)6-11(8-22-15)16(18,19)20/h6-9,12H,2-5H2,1H3
InChIKeyRUFLYQDOPDMVKN-UHFFFAOYSA-N
XLogP4.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[3-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 15838017
2-[4-[4-[4-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 23368040
2-Piperidin-1-yl-5-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyrazine
CID 58430227
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(trifluoromethyl)pyridin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71548368
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[6-(trifluoromethyl)pyridin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 89465980
2,3-Dimethyl-5-[4-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butoxy]pyrazine
CID 139654539
8-[6-(2,2,2-Trifluoroethoxy)pyrazin-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 168207505
8-(6-Propan-2-yloxypyrazin-2-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 168208504
2-Methoxy-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
CID 71924209
2-Methoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
CID 75420698
N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine
CID 110113061
N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine
CID 124979928

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine (CID 171701075) is 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(c3ncc(C(F)(F)F)cc3Br)CC2)n1.
What is the InChIKey of 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is RUFLYQDOPDMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF3N4O/c1-10-7-21-9-14(23-10)25-12-2-4-24(5-3-12)15-13(17)6-11(8-22-15)16(18,19)20/h6-9,12H,2-5H2,1H3.
What are the key properties of 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 417.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171701075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).