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

C24H29N5O3 — CID 138741816

IUPAC1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESCc1cc2[nH]c(CN3CCCC(C(=O)O)C3)nc2nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-13-20-23(26-21(25-20)15-28-8-2-3-18(14-28)24(30)31)27-22(16)17-4-6-19(7-5-17)29-9-11-32-12-10-29/h4-7,13,18H,2-3,8-12,14-15H2,1H3,(H,30,31)(H,25,26,27)
InChIKeyXAFKRKVNCWNEOJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.07
Rot. Bonds5

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

1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 138741816) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
PubChem CID138741816
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESCc1cc2[nH]c(CN3CCCC(C(=O)O)C3)nc2nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O3/c1-16-13-20-23(26-21(25-20)15-28-8-2-3-18(14-28)24(30)31)27-22(16)17-4-6-19(7-5-17)29-9-11-32-12-10-29/h4-7,13,18H,2-3,8-12,14-15H2,1H3,(H,30,31)(H,25,26,27)
InChIKeyXAFKRKVNCWNEOJ-UHFFFAOYSA-N
XLogP3.07
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 71492583
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
(3R)-1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-3-carboxylic acid;methanamine
CID 160660217
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24791417
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040656
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368

Frequently Asked Questions

What is the IUPAC name of 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid (CID 138741816) is 1-[[6-methyl-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-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid is Cc1cc2[nH]c(CN3CCCC(C(=O)O)C3)nc2nc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is XAFKRKVNCWNEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-13-20-23(26-21(25-20)15-28-8-2-3-18(14-28)24(30)31)27-22(16)17-4-6-19(7-5-17)29-9-11-32-12-10-29/h4-7,13,18H,2-3,8-12,14-15H2,1H3,(H,30,31)(H,25,26,27).
What are the key properties of 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid?
1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 435.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-methyl-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 138741816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).