4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

C28H32FN5O5 — CID 137366126

About 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid

4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 137366126) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
• PubChem CID: 137366126
• Molecular Formula: C28H32FN5O5
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.24
• IUPAC Name: 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
• SMILES: Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CN(C)C(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C
• InChI: InChI=1S/C28H32FN5O5/c1-17-21(25(26(35)36)31-33(17)6)11-12-38-23-13-19(29)8-9-22(23)18-7-10-24-30-14-20(34(24)15-18)16-32(5)27(37)39-28(2,3)4/h7-10,13-15H,11-12,16H2,1-6H3,(H,35,36)
• InChIKey: OGICEMDODUIGHM-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 111.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The IUPAC name of 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 137366126) is 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid.

What is the SMILES notation for 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The canonical SMILES for 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CN(C)C(=O)OC(C)(C)C)n3c2)c(C(=O)O)nn1C.

What is the InChIKey of 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The InChIKey is OGICEMDODUIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-17-21(25(26(35)36)31-33(17)6)11-12-38-23-13-19(29)8-9-22(23)18-7-10-24-30-14-20(34(24)15-18)16-32(5)27(37)39-28(2,3)4/h7-10,13-15H,11-12,16H2,1-6H3,(H,35,36).

What are the key properties of 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid?

4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 537.59 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-fluoro-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 137366126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).