3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide

C25H25BrN4O — CID 10184107

IUPAC3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CN(C)Cc3ccccc3)n2c1
InChIInChI=1S/C25H25BrN4O/c1-3-27-25(31)20-11-14-23-28-24(19-9-12-21(26)13-10-19)22(30(23)16-20)17-29(2)15-18-7-5-4-6-8-18/h4-14,16H,3,15,17H2,1-2H3,(H,27,31)
InChIKeyDOAIXCAIYHHPIA-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.15
Rot. Bonds7

About 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide

3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 10184107) has the molecular formula C25H25BrN4O and a molecular weight of 477.41 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID10184107
Molecular FormulaC25H25BrN4O
Molecular Weight477.41 g/mol
Exact Mass476.12
IUPAC Name3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CN(C)Cc3ccccc3)n2c1
InChIInChI=1S/C25H25BrN4O/c1-3-27-25(31)20-11-14-23-28-24(19-9-12-21(26)13-10-19)22(30(23)16-20)17-29(2)15-18-7-5-4-6-8-18/h4-14,16H,3,15,17H2,1-2H3,(H,27,31)
InChIKeyDOAIXCAIYHHPIA-UHFFFAOYSA-N
XLogP5.15
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108514
3-[[benzyl(methyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-6-amine
CID 39130256
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
2-[[6-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl-methylamino]ethanol
CID 93206085
[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
CID 2757136
3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108512
methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 53299477
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
4-benzyl-N-ethylbenzamide
CID 134120069

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide (CID 10184107) is 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide is CCNC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CN(C)Cc3ccccc3)n2c1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is DOAIXCAIYHHPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O/c1-3-27-25(31)20-11-14-23-28-24(19-9-12-21(26)13-10-19)22(30(23)16-20)17-29(2)15-18-7-5-4-6-8-18/h4-14,16H,3,15,17H2,1-2H3,(H,27,31).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide?
3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 477.41 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 10184107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).