6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C23H23F4N3O3 — CID 162763798

IUPAC6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(O)CCC(NC(=O)c2cn3cc(F)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1
InChIInChI=1S/C23H23F4N3O3/c1-22(32)8-6-15(7-9-22)28-21(31)18-12-30-11-14(24)10-17(20(30)29-18)16-4-2-3-5-19(16)33-13-23(25,26)27/h2-5,10-12,15,32H,6-9,13H2,1H3,(H,28,31)
InChIKeyRKMFALNISWLWEW-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.50
Rot. Bonds5

About 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763798) has the molecular formula C23H23F4N3O3 and a molecular weight of 465.45 g/mol. Its IUPAC name is 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763798
Molecular FormulaC23H23F4N3O3
Molecular Weight465.45 g/mol
Exact Mass465.17
IUPAC Name6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(O)CCC(NC(=O)c2cn3cc(F)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1
InChIInChI=1S/C23H23F4N3O3/c1-22(32)8-6-15(7-9-22)28-21(31)18-12-30-11-14(24)10-17(20(30)29-18)16-4-2-3-5-19(16)33-13-23(25,26)27/h2-5,10-12,15,32H,6-9,13H2,1H3,(H,28,31)
InChIKeyRKMFALNISWLWEW-UHFFFAOYSA-N
XLogP4.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763798) is 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CC1(O)CCC(NC(=O)c2cn3cc(F)cc(-c4ccccc4OCC(F)(F)F)c3n2)CC1.
What is the InChIKey of 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RKMFALNISWLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3O3/c1-22(32)8-6-15(7-9-22)28-21(31)18-12-30-11-14(24)10-17(20(30)29-18)16-4-2-3-5-19(16)33-13-23(25,26)27/h2-5,10-12,15,32H,6-9,13H2,1H3,(H,28,31).
What are the key properties of 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).