2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H20F3N3O3 — CID 67401503

IUPAC2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H20F3N3O3/c1-2-20-22(30-14-4-3-5-21(30)29-20)23(31)28-15-16-6-8-17(9-7-16)32-18-10-12-19(13-11-18)33-24(25,26)27/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyVCIWIEUHIOUCCH-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.52
Rot. Bonds7

About 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67401503) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67401503
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H20F3N3O3/c1-2-20-22(30-14-4-3-5-21(30)29-20)23(31)28-15-16-6-8-17(9-7-16)32-18-10-12-19(13-11-18)33-24(25,26)27/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyVCIWIEUHIOUCCH-UHFFFAOYSA-N
XLogP5.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67401503) is 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccccn2c1C(=O)NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VCIWIEUHIOUCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-2-20-22(30-14-4-3-5-21(30)29-20)23(31)28-15-16-6-8-17(9-7-16)32-18-10-12-19(13-11-18)33-24(25,26)27/h3-14H,2,15H2,1H3,(H,28,31).
What are the key properties of 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67401503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).