(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

C16H18F3N3 — CID 118185005

IUPAC(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](N)c2ncc(CC(F)(F)F)n21
InChIInChI=1S/C16H18F3N3/c1-10-13(11-5-3-2-4-6-11)7-14(20)15-21-9-12(22(10)15)8-16(17,18)19/h2-6,9-10,13-14H,7-8,20H2,1H3/t10-,13-,14+/m1/s1
InChIKeyCPRGBFGOMLVVBM-HONMWMINSA-N
MW309.34 g/mol
LogP3.74
Rot. Bonds2

About (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (PubChem CID 118185005) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
PubChem CID118185005
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESC[C@@H]1[C@H](c2ccccc2)C[C@H](N)c2ncc(CC(F)(F)F)n21
InChIInChI=1S/C16H18F3N3/c1-10-13(11-5-3-2-4-6-11)7-14(20)15-21-9-12(22(10)15)8-16(17,18)19/h2-6,9-10,13-14H,7-8,20H2,1H3/t10-,13-,14+/m1/s1
InChIKeyCPRGBFGOMLVVBM-HONMWMINSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The IUPAC name of (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (CID 118185005) is (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is C[C@@H]1[C@H](c2ccccc2)C[C@H](N)c2ncc(CC(F)(F)F)n21.
What is the InChIKey of (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The InChIKey is CPRGBFGOMLVVBM-HONMWMINSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-10-13(11-5-3-2-4-6-11)7-14(20)15-21-9-12(22(10)15)8-16(17,18)19/h2-6,9-10,13-14H,7-8,20H2,1H3/t10-,13-,14+/m1/s1.
What are the key properties of (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
(5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine has a molecular weight of 309.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,8S)-5-methyl-6-phenyl-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 118185005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).