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

C26H28FN5O4 — CID 122640709

IUPAC1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2C2CN(C(C)=O)CCO2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)19-12-21-26(28-13-19)32(24-14-31(17(3)33)9-10-35-24)23(29-21)8-6-18-5-7-22(34-4)20(27)11-18/h5,7,11-13,24H,6,8-10,14H2,1-4H3
InChIKeyNZZFJYCFYPZBDQ-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.01
Rot. Bonds6

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

1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone (PubChem CID 122640709) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone
PubChem CID122640709
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC Name1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2C2CN(C(C)=O)CCO2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)19-12-21-26(28-13-19)32(24-14-31(17(3)33)9-10-35-24)23(29-21)8-6-18-5-7-22(34-4)20(27)11-18/h5,7,11-13,24H,6,8-10,14H2,1-4H3
InChIKeyNZZFJYCFYPZBDQ-UHFFFAOYSA-N
XLogP4.01
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone (CID 122640709) is 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2C2CN(C(C)=O)CCO2)cc1F.
What is the InChIKey of 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone?
The InChIKey is NZZFJYCFYPZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)19-12-21-26(28-13-19)32(24-14-31(17(3)33)9-10-35-24)23(29-21)8-6-18-5-7-22(34-4)20(27)11-18/h5,7,11-13,24H,6,8-10,14H2,1-4H3.
What are the key properties of 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone?
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone has a molecular weight of 493.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 122640709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).