2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H21F4N3O3 — CID 71009858

IUPAC2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H21F4N3O3/c1-2-21-23(32-14-18(26)7-12-22(32)31-21)24(33)30-13-16-3-8-19(9-4-16)34-15-17-5-10-20(11-6-17)35-25(27,28)29/h3-12,14H,2,13,15H2,1H3,(H,30,33)
InChIKeyMJQGICFVMFNQQL-UHFFFAOYSA-N
MW487.45 g/mol
LogP5.44
Rot. Bonds8

About 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009858) has the molecular formula C25H21F4N3O3 and a molecular weight of 487.45 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71009858
Molecular FormulaC25H21F4N3O3
Molecular Weight487.45 g/mol
Exact Mass487.15
IUPAC Name2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H21F4N3O3/c1-2-21-23(32-14-18(26)7-12-22(32)31-21)24(33)30-13-16-3-8-19(9-4-16)34-15-17-5-10-20(11-6-17)35-25(27,28)29/h3-12,14H,2,13,15H2,1H3,(H,30,33)
InChIKeyMJQGICFVMFNQQL-UHFFFAOYSA-N
XLogP5.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009858) is 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(F)cn2c1C(=O)NCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MJQGICFVMFNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O3/c1-2-21-23(32-14-18(26)7-12-22(32)31-21)24(33)30-13-16-3-8-19(9-4-16)34-15-17-5-10-20(11-6-17)35-25(27,28)29/h3-12,14H,2,13,15H2,1H3,(H,30,33).
What are the key properties of 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 487.45 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).