5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile

C43H37F4N9O2 — CID 137389406

About 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile

5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile (PubChem CID 137389406) has the molecular formula C43H37F4N9O2 and a molecular weight of 787.82 g/mol. Its IUPAC name is 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile
• PubChem CID: 137389406
• Molecular Formula: C43H37F4N9O2
• Molecular Weight: 787.82 g/mol
• Exact Mass: 787.30
• IUPAC Name: 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile
• SMILES: Cc1cn2c(CC(C)(Cc3ncc(-c4cccnc4-c4ccc5c(c4)ncn5C)o3)C(F)(F)F)cc(-c3nc(C#N)ccc3-c3cnc(CCC(C)(C)F)o3)cc2n1
• InChI: InChI=1S/C43H37F4N9O2/c1-25-23-56-29(15-27(17-36(56)53-25)40-31(10-9-28(20-48)54-40)35-21-50-37(57-35)12-13-41(2,3)44)18-42(4,43(45,46)47)19-38-51-22-34(58-38)30-7-6-14-49-39(30)26-8-11-33-32(16-26)52-24-55(33)5/h6-11,14-17,21-24H,12-13,18-19H2,1-5H3
• InChIKey: YIGMFZOAAARYBJ-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 136.75 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	787.82
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile (CID 137389406) is 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile is Cc1cn2c(CC(C)(Cc3ncc(-c4cccnc4-c4ccc5c(c4)ncn5C)o3)C(F)(F)F)cc(-c3nc(C#N)ccc3-c3cnc(CCC(C)(C)F)o3)cc2n1.

What is the InChIKey of 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile?

The InChIKey is YIGMFZOAAARYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37F4N9O2/c1-25-23-56-29(15-27(17-36(56)53-25)40-31(10-9-28(20-48)54-40)35-21-50-37(57-35)12-13-41(2,3)44)18-42(4,43(45,46)47)19-38-51-22-34(58-38)30-7-6-14-49-39(30)26-8-11-33-32(16-26)52-24-55(33)5/h6-11,14-17,21-24H,12-13,18-19H2,1-5H3.

What are the key properties of 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile?

5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile has a molecular weight of 787.82 g/mol, XLogP of 9.87, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3-fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)-3-pyridinyl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).