ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate

C12H16N4O2 — CID 79288175

IUPACethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
SMILESCCOC(=O)C(C)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H16N4O2/c1-4-18-11(17)8(3)16-10-9(15-12(16)13)7(2)5-6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,15)
InChIKeyOOPHDMRTOPVWEF-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.45
Rot. Bonds3

About ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate

ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate (PubChem CID 79288175) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
PubChem CID79288175
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
SMILESCCOC(=O)C(C)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C12H16N4O2/c1-4-18-11(17)8(3)16-10-9(15-12(16)13)7(2)5-6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,15)
InChIKeyOOPHDMRTOPVWEF-UHFFFAOYSA-N
XLogP1.45
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate?
The IUPAC name of ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate (CID 79288175) is ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate is CCOC(=O)C(C)n1c(N)nc2c(C)ccnc21.
What is the InChIKey of ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate?
The InChIKey is OOPHDMRTOPVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-18-11(17)8(3)16-10-9(15-12(16)13)7(2)5-6-14-10/h5-6,8H,4H2,1-3H3,(H2,13,15).
What are the key properties of ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate?
ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate has a molecular weight of 248.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 79288175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).