(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide

C17H19F3N4O — CID 129341130

IUPAC(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide
SMILESNC(=O)[C@@H](NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-10-24-9-11(6-7-14(24)23-13)8-22-15(16(21)25)12-4-2-1-3-5-12/h1-5,10-11,15,22H,6-9H2,(H2,21,25)/t11-,15-/m0/s1
InChIKeyQZLICKYZEUEQLT-NHYWBVRUSA-N
MW352.36 g/mol
LogP2.28
Rot. Bonds5

About (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide

(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide (PubChem CID 129341130) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide
PubChem CID129341130
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide
SMILESNC(=O)[C@@H](NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-10-24-9-11(6-7-14(24)23-13)8-22-15(16(21)25)12-4-2-1-3-5-12/h1-5,10-11,15,22H,6-9H2,(H2,21,25)/t11-,15-/m0/s1
InChIKeyQZLICKYZEUEQLT-NHYWBVRUSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-yl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129005982
1-pyridin-2-yl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330660
2-oxo-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide
CID 129332825
N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
CID 128998420
3-[[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]methyl]-1H-quinolin-2-one
CID 129344590
(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide
CID 97217319
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339762
1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
1-(2-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129327730
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
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129001546
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide (CID 129341130) is (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide is NC(=O)[C@@H](NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide?
The InChIKey is QZLICKYZEUEQLT-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)13-10-24-9-11(6-7-14(24)23-13)8-22-15(16(21)25)12-4-2-1-3-5-12/h1-5,10-11,15,22H,6-9H2,(H2,21,25)/t11-,15-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide?
(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide has a molecular weight of 352.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide is sourced from PubChem (CID 129341130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).