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

C14H20N4O3 — CID 83064420

IUPAC5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC1(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)CCCN1
InChIInChI=1S/C14H20N4O3/c1-2-14(4-3-5-17-14)13(21)18-7-10-9(15-8-16-10)6-11(18)12(19)20/h8,11,17H,2-7H2,1H3,(H,15,16)(H,19,20)
InChIKeyBFCLRXIRNXZFCE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.28
Rot. Bonds3

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

5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 83064420) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID83064420
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC1(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)CCCN1
InChIInChI=1S/C14H20N4O3/c1-2-14(4-3-5-17-14)13(21)18-7-10-9(15-8-16-10)6-11(18)12(19)20/h8,11,17H,2-7H2,1H3,(H,15,16)(H,19,20)
InChIKeyBFCLRXIRNXZFCE-UHFFFAOYSA-N
XLogP0.28
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 83064420) is 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCC1(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is BFCLRXIRNXZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-14(4-3-5-17-14)13(21)18-7-10-9(15-8-16-10)6-11(18)12(19)20/h8,11,17H,2-7H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 83064420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).