ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate

C12H15N3O3 — CID 171436974

IUPACethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(c(N)cn2C)c1=O
InChIInChI=1S/C12H15N3O3/c1-3-18-10(16)7-15-5-4-9-11(12(15)17)8(13)6-14(9)2/h4-6H,3,7,13H2,1-2H3
InChIKeyCHZMZSTXZQYSBR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.49
Rot. Bonds3

About ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate

ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate (PubChem CID 171436974) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate
PubChem CID171436974
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(c(N)cn2C)c1=O
InChIInChI=1S/C12H15N3O3/c1-3-18-10(16)7-15-5-4-9-11(12(15)17)8(13)6-14(9)2/h4-6H,3,7,13H2,1-2H3
InChIKeyCHZMZSTXZQYSBR-UHFFFAOYSA-N
XLogP0.49
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate?
The IUPAC name of ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate (CID 171436974) is ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate is CCOC(=O)Cn1ccc2c(c(N)cn2C)c1=O.
What is the InChIKey of ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate?
The InChIKey is CHZMZSTXZQYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-18-10(16)7-15-5-4-9-11(12(15)17)8(13)6-14(9)2/h4-6H,3,7,13H2,1-2H3.
What are the key properties of ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate?
ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate is sourced from PubChem (CID 171436974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).