methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate

C15H13BrN4O2 — CID 3244857

IUPACmethyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCOC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12
InChIInChI=1S/C15H13BrN4O2/c1-22-13(21)8-18-15-14(11-4-2-3-7-17-11)19-12-6-5-10(16)9-20(12)15/h2-7,9,18H,8H2,1H3
InChIKeyWQFLVOHCRSXFSU-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate

methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 3244857) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID3244857
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Namemethyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCOC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12
InChIInChI=1S/C15H13BrN4O2/c1-22-13(21)8-18-15-14(11-4-2-3-7-17-11)19-12-6-5-10(16)9-20(12)15/h2-7,9,18H,8H2,1H3
InChIKeyWQFLVOHCRSXFSU-UHFFFAOYSA-N
XLogP2.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Related Compounds

4-(6-Bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 58221661
Methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 5322800
(6-Bromoimidazo(1,2-a)pyridin-2-yl)methanamine
CID 28325024
Ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate
CID 3240115
methyl 2-(2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)acetate
CID 44024153
[6-Fluoro-2-(3-fluoro-phenyl)-imidazo[1,2-a]pyridin-3-ylamino]-acetic acid methyl ester
CID 74763779
6-bromo-N-(2-methoxyethyl)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 155534293
N-(azetidin-3-yl)-6-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 134300706
Ethyl 1-bromoimidazo(1,5-a)pyridine-3-carboxylate
CID 53249839
(8-Bromoimidazo(1,2-a)pyridin-2-yl)methanamine
CID 82059914
Ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
1-Bromoimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83678820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 3244857) is methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate is COC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12.
What is the InChIKey of methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is WQFLVOHCRSXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-22-13(21)8-18-15-14(11-4-2-3-7-17-11)19-12-6-5-10(16)9-20(12)15/h2-7,9,18H,8H2,1H3.
What are the key properties of methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 361.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 3244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).