ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H28FN5O3 — CID 144545174

About ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144545174) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 144545174
• Molecular Formula: C24H28FN5O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.22
• IUPAC Name: ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC.Cc1ccc(-c2noc(CCC(C)(C)O)n2)cc1NC(=O)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C22H22FN5O3.C2H6/c1-13-4-5-14(20-26-19(31-27-20)8-9-22(2,3)30)10-16(13)25-21(29)17-11-24-18-7-6-15(23)12-28(17)18;1-2/h4-7,10-12,30H,8-9H2,1-3H3,(H,25,29);1-2H3
• InChIKey: YGOCQOJVVPYKBE-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 105.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 144545174) is ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is CC.Cc1ccc(-c2noc(CCC(C)(C)O)n2)cc1NC(=O)c1cnc2ccc(F)cn12.

What is the InChIKey of ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is YGOCQOJVVPYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3.C2H6/c1-13-4-5-14(20-26-19(31-27-20)8-9-22(2,3)30)10-16(13)25-21(29)17-11-24-18-7-6-15(23)12-28(17)18;1-2/h4-7,10-12,30H,8-9H2,1-3H3,(H,25,29);1-2H3.

What are the key properties of ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144545174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).