1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid

C23H26ClN5O3 — CID 71492583

IUPAC1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C23H26ClN5O3/c24-18-12-19-22(26-20(25-19)14-28-7-1-2-16(13-28)23(30)31)27-21(18)15-3-5-17(6-4-15)29-8-10-32-11-9-29/h3-6,12,16H,1-2,7-11,13-14H2,(H,30,31)(H,25,26,27)
InChIKeyUWFMZCQXQIJLLJ-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.41
Rot. Bonds5

About 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid

1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 71492583) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
PubChem CID71492583
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C23H26ClN5O3/c24-18-12-19-22(26-20(25-19)14-28-7-1-2-16(13-28)23(30)31)27-21(18)15-3-5-17(6-4-15)29-8-10-32-11-9-29/h3-6,12,16H,1-2,7-11,13-14H2,(H,30,31)(H,25,26,27)
InChIKeyUWFMZCQXQIJLLJ-UHFFFAOYSA-N
XLogP3.41
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-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

Related Compounds

1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 138741816
6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
CID 140612179
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-2-ol
CID 126576211
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
CID 90160521
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
CID 71493116
2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
CID 144512156
6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 90160442
6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 176678688
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid (CID 71492583) is 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1.
What is the InChIKey of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is UWFMZCQXQIJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-18-12-19-22(26-20(25-19)14-28-7-1-2-16(13-28)23(30)31)27-21(18)15-3-5-17(6-4-15)29-8-10-32-11-9-29/h3-6,12,16H,1-2,7-11,13-14H2,(H,30,31)(H,25,26,27).
What are the key properties of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 455.95 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 71492583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).