methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate

C18H15BrFN3O3 — CID 69084423

IUPACmethyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(Br)ccc2nc(C(=O)NCc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C18H15BrFN3O3/c1-10-7-11(3-5-13(10)20)8-21-17(24)14-9-23-15(22-14)6-4-12(19)16(23)18(25)26-2/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyMIHCQGJZOHFWOL-UHFFFAOYSA-N
MW420.24 g/mol
LogP3.26
Rot. Bonds4

About methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 69084423) has the molecular formula C18H15BrFN3O3 and a molecular weight of 420.24 g/mol. Its IUPAC name is methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID69084423
Molecular FormulaC18H15BrFN3O3
Molecular Weight420.24 g/mol
Exact Mass419.03
IUPAC Namemethyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(Br)ccc2nc(C(=O)NCc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C18H15BrFN3O3/c1-10-7-11(3-5-13(10)20)8-21-17(24)14-9-23-15(22-14)6-4-12(19)16(23)18(25)26-2/h3-7,9H,8H2,1-2H3,(H,21,24)
InChIKeyMIHCQGJZOHFWOL-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
CID 70249523
5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 70245525
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44518147
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44519791
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
5-N-[[4-(N'-diazenylcarbamimidoyl)phenyl]methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 143894624
6-chloro-N-[(3,4-dimethylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051214
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123619835
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 69084423) is methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1c(Br)ccc2nc(C(=O)NCc3ccc(F)c(C)c3)cn12.
What is the InChIKey of methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is MIHCQGJZOHFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O3/c1-10-7-11(3-5-13(10)20)8-21-17(24)14-9-23-15(22-14)6-4-12(19)16(23)18(25)26-2/h3-7,9H,8H2,1-2H3,(H,21,24).
What are the key properties of methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 420.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 69084423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).