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

C12H16N4O4 — CID 79344963

IUPAC5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)C1CC(O)CN1
InChIInChI=1S/C12H16N4O4/c17-6-1-8(13-3-6)11(18)16-4-9-7(14-5-15-9)2-10(16)12(19)20/h5-6,8,10,13,17H,1-4H2,(H,14,15)(H,19,20)
InChIKeyRZEOHFUTXZCEJQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.53
Rot. Bonds2

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

5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344963) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344963
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)C1CC(O)CN1
InChIInChI=1S/C12H16N4O4/c17-6-1-8(13-3-6)11(18)16-4-9-7(14-5-15-9)2-10(16)12(19)20/h5-6,8,10,13,17H,1-4H2,(H,14,15)(H,19,20)
InChIKeyRZEOHFUTXZCEJQ-UHFFFAOYSA-N
XLogP-1.53
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344963) is 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)C1CC(O)CN1.
What is the InChIKey of 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is RZEOHFUTXZCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-6-1-8(13-3-6)11(18)16-4-9-7(14-5-15-9)2-10(16)12(19)20/h5-6,8,10,13,17H,1-4H2,(H,14,15)(H,19,20).
What are the key properties of 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).