N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

C22H27F3N4O2 — CID 143685582

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC1(C)C2CCC(CNC(=O)c3cccc4nc(CC(=O)NCC(F)(F)F)cn34)C1C2
InChIInChI=1S/C22H27F3N4O2/c1-21(2)14-7-6-13(16(21)8-14)10-26-20(31)17-4-3-5-18-28-15(11-29(17)18)9-19(30)27-12-22(23,24)25/h3-5,11,13-14,16H,6-10,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyYFKNXFNQFQPAIM-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.36
Rot. Bonds6

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685582) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685582
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC1(C)C2CCC(CNC(=O)c3cccc4nc(CC(=O)NCC(F)(F)F)cn34)C1C2
InChIInChI=1S/C22H27F3N4O2/c1-21(2)14-7-6-13(16(21)8-14)10-26-20(31)17-4-3-5-18-28-15(11-29(17)18)9-19(30)27-12-22(23,24)25/h3-5,11,13-14,16H,6-10,12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyYFKNXFNQFQPAIM-UHFFFAOYSA-N
XLogP3.36
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685582) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC1(C)C2CCC(CNC(=O)c3cccc4nc(CC(=O)NCC(F)(F)F)cn34)C1C2.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is YFKNXFNQFQPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-21(2)14-7-6-13(16(21)8-14)10-26-20(31)17-4-3-5-18-28-15(11-29(17)18)9-19(30)27-12-22(23,24)25/h3-5,11,13-14,16H,6-10,12H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).