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

C26H28FN5O4 — CID 122648428

IUPAC2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)NC2CCOC2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-31-15)18-11-21-26(28-12-18)32(13-24(33)29-19-8-9-35-14-19)23(30-21)7-5-17-4-6-22(34-3)20(27)10-17/h4,6,10-12,19H,5,7-9,13-14H2,1-3H3,(H,29,33)
InChIKeyHFYMKDHOJKVLTH-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.54
Rot. Bonds8

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]-N-(oxolan-3-yl)acetamide

2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxolan-3-yl)acetamide (PubChem CID 122648428) 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]-N-(oxolan-3-yl)acetamide.

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]-N-(oxolan-3-yl)acetamide
PubChem CID122648428
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]-N-(oxolan-3-yl)acetamide
SMILESCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)NC2CCOC2)cc1F
InChIInChI=1S/C26H28FN5O4/c1-15-25(16(2)36-31-15)18-11-21-26(28-12-18)32(13-24(33)29-19-8-9-35-14-19)23(30-21)7-5-17-4-6-22(34-3)20(27)10-17/h4,6,10-12,19H,5,7-9,13-14H2,1-3H3,(H,29,33)
InChIKeyHFYMKDHOJKVLTH-UHFFFAOYSA-N
XLogP3.54
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.54
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]-N-(oxolan-3-yl)acetamide with MolForge

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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]-N-(oxolan-3-yl)acetamide?
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]-N-(oxolan-3-yl)acetamide (CID 122648428) 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]-N-(oxolan-3-yl)acetamide.
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]-N-(oxolan-3-yl)acetamide?
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]-N-(oxolan-3-yl)acetamide is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)cnc3n2CC(=O)NC2CCOC2)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]-N-(oxolan-3-yl)acetamide?
The InChIKey is HFYMKDHOJKVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-15-25(16(2)36-31-15)18-11-21-26(28-12-18)32(13-24(33)29-19-8-9-35-14-19)23(30-21)7-5-17-4-6-22(34-3)20(27)10-17/h4,6,10-12,19H,5,7-9,13-14H2,1-3H3,(H,29,33).
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]-N-(oxolan-3-yl)acetamide?
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]-N-(oxolan-3-yl)acetamide has a molecular weight of 493.54 g/mol, XLogP of 3.54, 8 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]-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 122648428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).