ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate

C11H13N3O2 — CID 71458301

IUPACethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(N)cn12
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)9-5-13-10-4-7(2)8(12)6-14(9)10/h4-6H,3,12H2,1-2H3
InChIKeyKABDKIAHAIHAJO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds2

About ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 71458301) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID71458301
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)c(N)cn12
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)9-5-13-10-4-7(2)8(12)6-14(9)10/h4-6H,3,12H2,1-2H3
InChIKeyKABDKIAHAIHAJO-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 71458301) is ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(C)c(N)cn12.
What is the InChIKey of ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is KABDKIAHAIHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)9-5-13-10-4-7(2)8(12)6-14(9)10/h4-6H,3,12H2,1-2H3.
What are the key properties of ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 71458301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).