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

C27H32FN5O3 — CID 122648204

IUPAC4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCOc1ccc(CC(C)c2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C27H32FN5O3/c1-17(13-20-5-6-24(34-4)22(28)14-20)26-30-23-15-21(25-18(2)31-36-19(25)3)16-29-27(23)33(26)8-7-32-9-11-35-12-10-32/h5-6,14-17H,7-13H2,1-4H3
InChIKeyDTAXGQOVUVDUPT-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.53
Rot. Bonds8

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

4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (PubChem CID 122648204) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
PubChem CID122648204
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
SMILESCOc1ccc(CC(C)c2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F
InChIInChI=1S/C27H32FN5O3/c1-17(13-20-5-6-24(34-4)22(28)14-20)26-30-23-15-21(25-18(2)31-36-19(25)3)16-29-27(23)33(26)8-7-32-9-11-35-12-10-32/h5-6,14-17H,7-13H2,1-4H3
InChIKeyDTAXGQOVUVDUPT-UHFFFAOYSA-N
XLogP4.53
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]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-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]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-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine (CID 122648204) is 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]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-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]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-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is COc1ccc(CC(C)c2nc3cc(-c4c(C)noc4C)cnc3n2CCN2CCOCC2)cc1F.
What is the InChIKey of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
The InChIKey is DTAXGQOVUVDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-17(13-20-5-6-24(34-4)22(28)14-20)26-30-23-15-21(25-18(2)31-36-19(25)3)16-29-27(23)33(26)8-7-32-9-11-35-12-10-32/h5-6,14-17H,7-13H2,1-4H3.
What are the key properties of 4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine?
4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine has a molecular weight of 493.58 g/mol, XLogP of 4.53, 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-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine is sourced from PubChem (CID 122648204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).