2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C21H19ClN4O3 — CID 133053810

IUPAC2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1ccnc1CCOC(c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28)
InChIKeyULBCSYUKODTPKF-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.00
Rot. Bonds7

About 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 133053810) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID133053810
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1ccnc1CCOC(c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28)
InChIKeyULBCSYUKODTPKF-UHFFFAOYSA-N
XLogP4.00
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-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 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 133053810) is 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Cn1ccnc1CCOC(c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ULBCSYUKODTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-26-10-9-24-18(26)7-11-29-20(13-4-2-3-5-15(13)22)17-12-16-19(25-17)14(21(27)28)6-8-23-16/h2-6,8-10,12,20,25H,7,11H2,1H3,(H,27,28).
What are the key properties of 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 410.86 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-[2-(1-methylimidazol-2-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 133053810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).