5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C12H10Cl2N4O3 — CID 79344433

IUPAC5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H10Cl2N4O3/c13-5-1-7(17-10(5)14)11(19)18-3-8-6(15-4-16-8)2-9(18)12(20)21/h1,4,9,17H,2-3H2,(H,15,16)(H,20,21)
InChIKeyDZENOJNMSUEWBU-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.70
Rot. Bonds2

About 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344433) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344433
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC Name5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H10Cl2N4O3/c13-5-1-7(17-10(5)14)11(19)18-3-8-6(15-4-16-8)2-9(18)12(20)21/h1,4,9,17H,2-3H2,(H,15,16)(H,20,21)
InChIKeyDZENOJNMSUEWBU-UHFFFAOYSA-N
XLogP1.70
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(4,5-dichloro-1H-pyrrole-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-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344433) is 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is DZENOJNMSUEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c13-5-1-7(17-10(5)14)11(19)18-3-8-6(15-4-16-8)2-9(18)12(20)21/h1,4,9,17H,2-3H2,(H,15,16)(H,20,21).
What are the key properties of 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 329.14 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).