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

C25H22F3N3O3 — CID 70984069

IUPAC2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H22F3N3O3/c1-2-21-23(31-14-4-3-5-22(31)30-21)24(32)29-15-17-6-10-19(11-7-17)33-16-18-8-12-20(13-9-18)34-25(26,27)28/h3-14H,2,15-16H2,1H3,(H,29,32)
InChIKeyMTKZVWJBYCDOAA-UHFFFAOYSA-N
MW469.46 g/mol
LogP5.30
Rot. Bonds8

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

2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70984069) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70984069
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccccn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H22F3N3O3/c1-2-21-23(31-14-4-3-5-22(31)30-21)24(32)29-15-17-6-10-19(11-7-17)33-16-18-8-12-20(13-9-18)34-25(26,27)28/h3-14H,2,15-16H2,1H3,(H,29,32)
InChIKeyMTKZVWJBYCDOAA-UHFFFAOYSA-N
XLogP5.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 55.30
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)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 70984069) is 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccccn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MTKZVWJBYCDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c1-2-21-23(31-14-4-3-5-22(31)30-21)24(32)29-15-17-6-10-19(11-7-17)33-16-18-8-12-20(13-9-18)34-25(26,27)28/h3-14H,2,15-16H2,1H3,(H,29,32).
What are the key properties of 2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 5.30, 8 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)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70984069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).