6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H21ClF3N3O3 — CID 162763745

IUPAC6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H21ClF3N3O3/c23-13-9-17(16-3-1-2-4-19(16)32-12-22(24,25)26)20-28-18(11-29(20)10-13)21(31)27-14-5-7-15(30)8-6-14/h1-4,9-11,14-15,30H,5-8,12H2,(H,27,31)
InChIKeyVIKZKHHOGXKBSD-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.63
Rot. Bonds5

About 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763745) has the molecular formula C22H21ClF3N3O3 and a molecular weight of 467.88 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763745
Molecular FormulaC22H21ClF3N3O3
Molecular Weight467.88 g/mol
Exact Mass467.12
IUPAC Name6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H21ClF3N3O3/c23-13-9-17(16-3-1-2-4-19(16)32-12-22(24,25)26)20-28-18(11-29(20)10-13)21(31)27-14-5-7-15(30)8-6-14/h1-4,9-11,14-15,30H,5-8,12H2,(H,27,31)
InChIKeyVIKZKHHOGXKBSD-UHFFFAOYSA-N
XLogP4.63
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763745) is 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(O)CC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VIKZKHHOGXKBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O3/c23-13-9-17(16-3-1-2-4-19(16)32-12-22(24,25)26)20-28-18(11-29(20)10-13)21(31)27-14-5-7-15(30)8-6-14/h1-4,9-11,14-15,30H,5-8,12H2,(H,27,31).
What are the key properties of 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 467.88 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).