4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine

C47H54BrF2N9O5 — CID 158172859

IUPAC4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F.COc1ccc(CCc2nc3cc(Br)cnc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C26H30FN5O3.C21H24BrFN4O2/c1-17-25(18(2)35-30-17)20-15-22-26(28-16-20)32(9-8-31-10-12-34-13-11-31)24(29-22)7-5-19-4-6-23(33-3)21(27)14-19;1-28-19-4-2-15(12-17(19)23)3-5-20-25-18-13-16(22)14-24-21(18)27(20)7-6-26-8-10-29-11-9-26/h4,6,14-16H,5,7-13H2,1-3H3;2,4,12-14H,3,5-11H2,1H3
InChIKeyFXQYTFOBOUSGSQ-UHFFFAOYSA-N
MW942.91 g/mol
LogP7.43
Rot. Bonds15

About 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine

4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (PubChem CID 158172859) has the molecular formula C47H54BrF2N9O5 and a molecular weight of 942.91 g/mol. Its IUPAC name is 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
PubChem CID158172859
Molecular FormulaC47H54BrF2N9O5
Molecular Weight942.91 g/mol
Exact Mass941.34
IUPAC Name4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F.COc1ccc(CCc2nc3cc(Br)cnc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C26H30FN5O3.C21H24BrFN4O2/c1-17-25(18(2)35-30-17)20-15-22-26(28-16-20)32(9-8-31-10-12-34-13-11-31)24(29-22)7-5-19-4-6-23(33-3)21(27)14-19;1-28-19-4-2-15(12-17(19)23)3-5-20-25-18-13-16(22)14-24-21(18)27(20)7-6-26-8-10-29-11-9-26/h4,6,14-16H,5,7-13H2,1-3H3;2,4,12-14H,3,5-11H2,1H3
InChIKeyFXQYTFOBOUSGSQ-UHFFFAOYSA-N
XLogP7.43
TPSA130.85 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.91
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (CID 158172859) is 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F.COc1ccc(CCc2nc3cc(Br)cnc3n2CCN2CCOCC2)cc1F.
What is the InChIKey of 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The InChIKey is FXQYTFOBOUSGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3.C21H24BrFN4O2/c1-17-25(18(2)35-30-17)20-15-22-26(28-16-20)32(9-8-31-10-12-34-13-11-31)24(29-22)7-5-19-4-6-23(33-3)21(27)14-19;1-28-19-4-2-15(12-17(19)23)3-5-20-25-18-13-16(22)14-24-21(18)27(20)7-6-26-8-10-29-11-9-26/h4,6,14-16H,5,7-13H2,1-3H3;2,4,12-14H,3,5-11H2,1H3.
What are the key properties of 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine has a molecular weight of 942.91 g/mol, XLogP of 7.43, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-bromo-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is sourced from PubChem (CID 158172859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).