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

C24H19ClN6O4 — CID 136634852

IUPAC3-[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
SMILESO=c1[nH]c(-c2ccc(Oc3nc4nc(-c5ccc(N6CCOCC6)cc5)c(Cl)cc4[nH]3)cc2)no1
InChIInChI=1S/C24H19ClN6O4/c25-18-13-19-22(27-20(18)14-1-5-16(6-2-14)31-9-11-33-12-10-31)28-23(26-19)34-17-7-3-15(4-8-17)21-29-24(32)35-30-21/h1-8,13H,9-12H2,(H,26,27,28)(H,29,30,32)
InChIKeyJESIBZIQEBSTAZ-UHFFFAOYSA-N
MW490.91 g/mol
LogP4.25
Rot. Bonds5

About 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

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 (PubChem CID 136634852) has the molecular formula C24H19ClN6O4 and a molecular weight of 490.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID136634852
Molecular FormulaC24H19ClN6O4
Molecular Weight490.91 g/mol
Exact Mass490.12
IUPAC Name3-[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
SMILESO=c1[nH]c(-c2ccc(Oc3nc4nc(-c5ccc(N6CCOCC6)cc5)c(Cl)cc4[nH]3)cc2)no1
InChIInChI=1S/C24H19ClN6O4/c25-18-13-19-22(27-20(18)14-1-5-16(6-2-14)31-9-11-33-12-10-31)28-23(26-19)34-17-7-3-15(4-8-17)21-29-24(32)35-30-21/h1-8,13H,9-12H2,(H,26,27,28)(H,29,30,32)
InChIKeyJESIBZIQEBSTAZ-UHFFFAOYSA-N
XLogP4.25
TPSA122.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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
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
3-[4-[4-[2-[[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136625855
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-[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
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-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
CID 90160521
(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
3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 138741459

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c(-c2ccc(Oc3nc4nc(-c5ccc(N6CCOCC6)cc5)c(Cl)cc4[nH]3)cc2)no1.
What is the InChIKey of 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?
The InChIKey is JESIBZIQEBSTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O4/c25-18-13-19-22(27-20(18)14-1-5-16(6-2-14)31-9-11-33-12-10-31)28-23(26-19)34-17-7-3-15(4-8-17)21-29-24(32)35-30-21/h1-8,13H,9-12H2,(H,26,27,28)(H,29,30,32).
What are the key properties of 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?
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 has a molecular weight of 490.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136634852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).