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

C26H26ClN5O4 — CID 71493116

IUPAC3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
SMILESCC(C)(C(=O)O)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccn1
InChIInChI=1S/C26H26ClN5O4/c1-26(2,24(33)34)22(19-5-3-4-10-28-19)36-25-29-20-15-18(27)21(30-23(20)31-25)16-6-8-17(9-7-16)32-11-13-35-14-12-32/h3-10,15,22H,11-14H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyFHRNVDNKYLZGCI-UHFFFAOYSA-N
MW507.98 g/mol
LogP4.74
Rot. Bonds7

About 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

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 (PubChem CID 71493116) has the molecular formula C26H26ClN5O4 and a molecular weight of 507.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
PubChem CID71493116
Molecular FormulaC26H26ClN5O4
Molecular Weight507.98 g/mol
Exact Mass507.17
IUPAC Name3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
SMILESCC(C)(C(=O)O)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccn1
InChIInChI=1S/C26H26ClN5O4/c1-26(2,24(33)34)22(19-5-3-4-10-28-19)36-25-29-20-15-18(27)21(30-23(20)31-25)16-6-8-17(9-7-16)32-11-13-35-14-12-32/h3-10,15,22H,11-14H2,1-2H3,(H,33,34)(H,29,30,31)
InChIKeyFHRNVDNKYLZGCI-UHFFFAOYSA-N
XLogP4.74
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
CID 144512156
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685
6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
CID 140612179
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
6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 90160442
1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 71492583
3-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136634852
2-[4-[[6-chloro-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxymethylidene]cyclohexyl]-2-methylpropane-1,1-diol
CID 138741469
(3aR,6aR)-6-[[6-chloro-5-(4-pyrrolidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144618751

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C(=O)O)C(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)c1ccccn1.
What is the InChIKey of 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?
The InChIKey is FHRNVDNKYLZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4/c1-26(2,24(33)34)22(19-5-3-4-10-28-19)36-25-29-20-15-18(27)21(30-23(20)31-25)16-6-8-17(9-7-16)32-11-13-35-14-12-32/h3-10,15,22H,11-14H2,1-2H3,(H,33,34)(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 507.98 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71493116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).