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

C23H26ClN5O3 — CID 71492584

IUPAC1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H26ClN5O3/c24-18-13-19-22(26-20(25-19)14-28-7-5-16(6-8-28)23(30)31)27-21(18)15-1-3-17(4-2-15)29-9-11-32-12-10-29/h1-4,13,16H,5-12,14H2,(H,30,31)(H,25,26,27)
InChIKeyNCSOIUWFTQFVJZ-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-4-carboxylic acid

1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 71492584) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID71492584
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-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H26ClN5O3/c24-18-13-19-22(26-20(25-19)14-28-7-5-16(6-8-28)23(30)31)27-21(18)15-1-3-17(4-2-15)29-9-11-32-12-10-29/h1-4,13,16H,5-12,14H2,(H,30,31)(H,25,26,27)
InChIKeyNCSOIUWFTQFVJZ-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

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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-4-carboxylic acid?
The IUPAC name of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid (CID 71492584) is 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-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-4-carboxylic acid?
The canonical SMILES for 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is NCSOIUWFTQFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-18-13-19-22(26-20(25-19)14-28-7-5-16(6-8-28)23(30)31)27-21(18)15-1-3-17(4-2-15)29-9-11-32-12-10-29/h1-4,13,16H,5-12,14H2,(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-4-carboxylic acid?
1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 71492584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).