3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile

C15H15F3N6 — CID 129336506

IUPAC3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
SMILESCN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1nccnc1C#N
InChIInChI=1S/C15H15F3N6/c1-23(14-11(6-19)20-4-5-21-14)7-10-2-3-13-22-12(15(16,17)18)9-24(13)8-10/h4-5,9-10H,2-3,7-8H2,1H3/t10-/m1/s1
InChIKeyQTIHGXVTMQQREF-SNVBAGLBSA-N
MW336.32 g/mol
LogP2.26
Rot. Bonds3

About 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile

3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile (PubChem CID 129336506) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
PubChem CID129336506
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
SMILESCN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1nccnc1C#N
InChIInChI=1S/C15H15F3N6/c1-23(14-11(6-19)20-4-5-21-14)7-10-2-3-13-22-12(15(16,17)18)9-24(13)8-10/h4-5,9-10H,2-3,7-8H2,1H3/t10-/m1/s1
InChIKeyQTIHGXVTMQQREF-SNVBAGLBSA-N
XLogP2.26
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129336733
5-chloro-6-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330221
5-chloro-6-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330222
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119
1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129335103
3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
CID 62685039
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129331629
N,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-3-carboxamide
CID 129333228
1-methyl-3-(oxan-4-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998409
(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one
CID 129330736
N,1-dimethyl-6-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 129327718
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile (CID 129336506) is 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile is CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1nccnc1C#N.
What is the InChIKey of 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile?
The InChIKey is QTIHGXVTMQQREF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3N6/c1-23(14-11(6-19)20-4-5-21-14)7-10-2-3-13-22-12(15(16,17)18)9-24(13)8-10/h4-5,9-10H,2-3,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile?
3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile has a molecular weight of 336.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 129336506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).