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

C23H21F6N3O3 — CID 162763701

IUPACN-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H21F6N3O3/c24-22(25,26)12-35-19-4-2-1-3-16(19)17-9-13(23(27,28)29)10-32-11-18(31-20(17)32)21(34)30-14-5-7-15(33)8-6-14/h1-4,9-11,14-15,33H,5-8,12H2,(H,30,34)
InChIKeyUISYSJOUHUKGCK-UHFFFAOYSA-N
MW501.43 g/mol
LogP4.99
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763701) has the molecular formula C23H21F6N3O3 and a molecular weight of 501.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763701
Molecular FormulaC23H21F6N3O3
Molecular Weight501.43 g/mol
Exact Mass501.15
IUPAC NameN-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H21F6N3O3/c24-22(25,26)12-35-19-4-2-1-3-16(19)17-9-13(23(27,28)29)10-32-11-18(31-20(17)32)21(34)30-14-5-7-15(33)8-6-14/h1-4,9-11,14-15,33H,5-8,12H2,(H,30,34)
InChIKeyUISYSJOUHUKGCK-UHFFFAOYSA-N
XLogP4.99
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763701) is N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(O)CC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UISYSJOUHUKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3O3/c24-22(25,26)12-35-19-4-2-1-3-16(19)17-9-13(23(27,28)29)10-32-11-18(31-20(17)32)21(34)30-14-5-7-15(33)8-6-14/h1-4,9-11,14-15,33H,5-8,12H2,(H,30,34).
What are the key properties of N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 501.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).