2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine

C17H19F3N4S — CID 135194206

IUPAC2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
SMILESCC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H19F3N4S/c1-16(2)5-8-24(9-6-16)13-10-23-14(11-22-13)25-12-4-3-7-21-15(12)17(18,19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyKBUBWYCXYWNKOB-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.67
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine

2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine (PubChem CID 135194206) has the molecular formula C17H19F3N4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
PubChem CID135194206
Molecular FormulaC17H19F3N4S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
SMILESCC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H19F3N4S/c1-16(2)5-8-24(9-6-16)13-10-23-14(11-22-13)25-12-4-3-7-21-15(12)17(18,19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyKBUBWYCXYWNKOB-UHFFFAOYSA-N
XLogP4.67
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine with MolForge

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Related Compounds

(4R)-4-methyl-8-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 135194191
4-methyl-1-[6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 171356997
4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(3R,4R)-4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 139365351
6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 134401681
4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
CID 175845610
5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one
CID 174363975
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
(S)-N-[8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 163686081
N-[3-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyridine-2-carboxamide
CID 171778221

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine (CID 135194206) is 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine is CC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine?
The InChIKey is KBUBWYCXYWNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4S/c1-16(2)5-8-24(9-6-16)13-10-23-14(11-22-13)25-12-4-3-7-21-15(12)17(18,19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine?
2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine has a molecular weight of 368.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine is sourced from PubChem (CID 135194206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).