ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine

C16H24BrN3O2 — CID 165132115

IUPACethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
SMILESCC.CCOC(=O)c1cn2cc(C3CC3)cc(Br)c2n1.CN
InChIInChI=1S/C13H13BrN2O2.C2H6.CH5N/c1-2-18-13(17)11-7-16-6-9(8-3-4-8)5-10(14)12(16)15-11;2*1-2/h5-8H,2-4H2,1H3;1-2H3;2H2,1H3
InChIKeyFQLIJZLFZGXGNU-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.75
Rot. Bonds3

About ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine

ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine (PubChem CID 165132115) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine.

Molecular Properties

Compound Nameethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
PubChem CID165132115
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Nameethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
SMILESCC.CCOC(=O)c1cn2cc(C3CC3)cc(Br)c2n1.CN
InChIInChI=1S/C13H13BrN2O2.C2H6.CH5N/c1-2-18-13(17)11-7-16-6-9(8-3-4-8)5-10(14)12(16)15-11;2*1-2/h5-8H,2-4H2,1H3;1-2H3;2H2,1H3
InChIKeyFQLIJZLFZGXGNU-UHFFFAOYSA-N
XLogP3.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine?
The IUPAC name of ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine (CID 165132115) is ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine.
What is the SMILES notation for ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine?
The canonical SMILES for ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine is CC.CCOC(=O)c1cn2cc(C3CC3)cc(Br)c2n1.CN.
What is the InChIKey of ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine?
The InChIKey is FQLIJZLFZGXGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2.C2H6.CH5N/c1-2-18-13(17)11-7-16-6-9(8-3-4-8)5-10(14)12(16)15-11;2*1-2/h5-8H,2-4H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine?
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine has a molecular weight of 370.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine is sourced from PubChem (CID 165132115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).