N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H17BrFN3O — CID 55594450

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C18H17BrFN3O/c1-3-22(10-13-9-14(19)4-5-15(13)20)18(24)16-11-23-7-6-12(2)8-17(23)21-16/h4-9,11H,3,10H2,1-2H3
InChIKeyYILJEHJBSCHWIF-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.21
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 55594450) has the molecular formula C18H17BrFN3O and a molecular weight of 390.26 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID55594450
Molecular FormulaC18H17BrFN3O
Molecular Weight390.26 g/mol
Exact Mass389.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C18H17BrFN3O/c1-3-22(10-13-9-14(19)4-5-15(13)20)18(24)16-11-23-7-6-12(2)8-17(23)21-16/h4-9,11H,3,10H2,1-2H3
InChIKeyYILJEHJBSCHWIF-UHFFFAOYSA-N
XLogP4.21
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 55594450) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1cn2ccc(C)cc2n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YILJEHJBSCHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O/c1-3-22(10-13-9-14(19)4-5-15(13)20)18(24)16-11-23-7-6-12(2)8-17(23)21-16/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 55594450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).