5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C11H15N3O4 — CID 79344619

IUPAC5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCOCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-18-5-10(15)14-4-8-7(12-6-13-8)3-9(14)11(16)17/h6,9H,2-5H2,1H3,(H,12,13)(H,16,17)
InChIKeyGORDOHYBCPPMPH-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.22
Rot. Bonds4

About 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344619) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344619
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCOCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-18-5-10(15)14-4-8-7(12-6-13-8)3-9(14)11(16)17/h6,9H,2-5H2,1H3,(H,12,13)(H,16,17)
InChIKeyGORDOHYBCPPMPH-UHFFFAOYSA-N
XLogP-0.22
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344619) is 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCOCC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GORDOHYBCPPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-5-10(15)14-4-8-7(12-6-13-8)3-9(14)11(16)17/h6,9H,2-5H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).