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

C26H28FN5O4 — CID 122640719

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)N2CCC(O)C2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)18-11-21-26(28-12-18)32(14-24(34)31-9-8-19(33)13-31)23(29-21)7-5-17-4-6-22(35-3)20(27)10-17/h4,6,10-12,19,33H,5,7-9,13-14H2,1-3H3
InChIKeyWITYWOKNPROXIH-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.23
Rot. Bonds7

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

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 122640719) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID122640719
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC Name2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)N2CCC(O)C2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)18-11-21-26(28-12-18)32(14-24(34)31-9-8-19(33)13-31)23(29-21)7-5-17-4-6-22(35-3)20(27)10-17/h4,6,10-12,19,33H,5,7-9,13-14H2,1-3H3
InChIKeyWITYWOKNPROXIH-UHFFFAOYSA-N
XLogP3.23
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

CID 16758225
CID 16758225
CID 137409210
CID 137409210
CID 44426980
CID 44426980
CID 44426982
CID 44426982
CID 137410598
CID 137410598
CID 146589039
CID 146589039
CID 146589318
CID 146589318
CID 44528134
CID 44528134
CID 134806691
CID 134806691
CID 137530083
CID 137530083
CID 137530084
CID 137530084
CID 164621146
CID 164621146

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 122640719) is 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)N2CCC(O)C2)cc1F.
What is the InChIKey of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is WITYWOKNPROXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-15-25(16(2)36-30-15)18-11-21-26(28-12-18)32(14-24(34)31-9-8-19(33)13-31)23(29-21)7-5-17-4-6-22(35-3)20(27)10-17/h4,6,10-12,19,33H,5,7-9,13-14H2,1-3H3.
What are the key properties of 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 493.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 122640719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).