2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H16F6N4O2S — CID 162407981

IUPAC2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(N1CCn2cc(C(F)(F)F)nc2C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H16F6N4O2S/c14-12(15,16)9-2-1-3-22(6-9)26(24,25)23-5-4-21-7-10(13(17,18)19)20-11(21)8-23/h7,9H,1-6,8H2/t9-/m0/s1
InChIKeyXBNSORPTMJIPQL-VIFPVBQESA-N
MW406.35 g/mol
LogP2.24
Rot. Bonds2

About 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 162407981) has the molecular formula C13H16F6N4O2S and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID162407981
Molecular FormulaC13H16F6N4O2S
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(N1CCn2cc(C(F)(F)F)nc2C1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H16F6N4O2S/c14-12(15,16)9-2-1-3-22(6-9)26(24,25)23-5-4-21-7-10(13(17,18)19)20-11(21)8-23/h7,9H,1-6,8H2/t9-/m0/s1
InChIKeyXBNSORPTMJIPQL-VIFPVBQESA-N
XLogP2.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonyl fluoride
CID 146094311
2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 118094534
1-Methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 118303240
2-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 156517227
7-Ethyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390183
7-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390410
7-(2-Methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390431
7-Butan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390466
7-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 164902186
2-(1,1-Difluoroethyl)-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 172173832
[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]methanamine
CID 86775195
[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 97832039

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 162407981) is 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(N1CCn2cc(C(F)(F)F)nc2C1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is XBNSORPTMJIPQL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F6N4O2S/c14-12(15,16)9-2-1-3-22(6-9)26(24,25)23-5-4-21-7-10(13(17,18)19)20-11(21)8-23/h7,9H,1-6,8H2/t9-/m0/s1.
What are the key properties of 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 406.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-7-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162407981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).