2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H23F3N4O2 — CID 162601668

IUPAC2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H23F3N4O2/c1-3-21-23(32-13-12-16(2)14-22(32)31-21)24(33)29-15-17-4-6-18(7-5-17)30-19-8-10-20(11-9-19)34-25(26,27)28/h4-14,30H,3,15H2,1-2H3,(H,29,33)
InChIKeyWNWGTYQIMFYMRQ-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.78
Rot. Bonds7

About 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 162601668) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID162601668
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H23F3N4O2/c1-3-21-23(32-13-12-16(2)14-22(32)31-21)24(33)29-15-17-4-6-18(7-5-17)30-19-8-10-20(11-9-19)34-25(26,27)28/h4-14,30H,3,15H2,1-2H3,(H,29,33)
InChIKeyWNWGTYQIMFYMRQ-UHFFFAOYSA-N
XLogP5.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
2-ethyl-7-oxido-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyrazin-7-ium-3-carboxamide
CID 71293862
6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469785
CID 123986024
CID 123986024
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
7-ethyl-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171356527
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 162601668) is 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WNWGTYQIMFYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-3-21-23(32-13-12-16(2)14-22(32)31-21)24(33)29-15-17-4-6-18(7-5-17)30-19-8-10-20(11-9-19)34-25(26,27)28/h4-14,30H,3,15H2,1-2H3,(H,29,33).
What are the key properties of 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 162601668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).