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

C26H30FN5O3 — CID 122640701

IUPAC4-[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
InChIInChI=1S/C26H30FN5O3/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/h4,6,14-16H,5,7-13H2,1-3H3
InChIKeyQGZOOEOJAPTPPR-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.97
Rot. Bonds8

About 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-(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 122640701) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 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-(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 CID122640701
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name4-[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
InChIInChI=1S/C26H30FN5O3/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/h4,6,14-16H,5,7-13H2,1-3H3
InChIKeyQGZOOEOJAPTPPR-UHFFFAOYSA-N
XLogP3.97
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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-(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-(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 122640701) is 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-(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-(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.
What is the InChIKey of 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 QGZOOEOJAPTPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/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/h4,6,14-16H,5,7-13H2,1-3H3.
What are the key properties of 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-(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 479.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 122640701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).