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

C16H14BrN3O2 — CID 5322800

IUPACmethyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCOC(=O)CNc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H14BrN3O2/c1-22-14(21)9-18-16-15(11-5-3-2-4-6-11)19-13-8-7-12(17)10-20(13)16/h2-8,10,18H,9H2,1H3
InChIKeyVLRPQFKKAAHIGA-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.35
Rot. Bonds4

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

methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 5322800) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID5322800
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Namemethyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCOC(=O)CNc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H14BrN3O2/c1-22-14(21)9-18-16-15(11-5-3-2-4-6-11)19-13-8-7-12(17)10-20(13)16/h2-8,10,18H,9H2,1H3
InChIKeyVLRPQFKKAAHIGA-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 5322800) is methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is COC(=O)CNc1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is VLRPQFKKAAHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-22-14(21)9-18-16-15(11-5-3-2-4-6-11)19-13-8-7-12(17)10-20(13)16/h2-8,10,18H,9H2,1H3.
What are the key properties of methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 360.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 5322800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).