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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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).