1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid

C30H33F2N3O4 — CID 123939665

About 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid

1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid (PubChem CID 123939665) has the molecular formula C30H33F2N3O4 and a molecular weight of 537.61 g/mol. Its IUPAC name is 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid
• PubChem CID: 123939665
• Molecular Formula: C30H33F2N3O4
• Molecular Weight: 537.61 g/mol
• Exact Mass: 537.24
• IUPAC Name: 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC34CC5CC(CC(C(=O)O)C(C5)C3)C4)n2c1
• InChI: InChI=1S/C30H33F2N3O4/c1-16-6-25(39-14-22-23(31)4-3-5-24(22)32)27-34-17(2)26(35(27)13-16)28(36)33-15-30-10-18-7-19(11-30)9-21(29(37)38)20(8-18)12-30/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H,33,36)(H,37,38)
• InChIKey: NYBBFHOZAUKISV-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.61
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid?

The IUPAC name of 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid (CID 123939665) is 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid.

What is the SMILES notation for 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid?

The canonical SMILES for 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC34CC5CC(CC(C(=O)O)C(C5)C3)C4)n2c1.

What is the InChIKey of 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid?

The InChIKey is NYBBFHOZAUKISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N3O4/c1-16-6-25(39-14-22-23(31)4-3-5-24(22)32)27-34-17(2)26(35(27)13-16)28(36)33-15-30-10-18-7-19(11-30)9-21(29(37)38)20(8-18)12-30/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H,33,36)(H,37,38).

What are the key properties of 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid?

1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid has a molecular weight of 537.61 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid is sourced from PubChem (CID 123939665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).