3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid

C26H23F2N3O4 — CID 90091308

About 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid

3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid (PubChem CID 90091308) has the molecular formula C26H23F2N3O4 and a molecular weight of 479.48 g/mol. Its IUPAC name is 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid.

Molecular Properties

• Compound Name: 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
• PubChem CID: 90091308
• Molecular Formula: C26H23F2N3O4
• Molecular Weight: 479.48 g/mol
• Exact Mass: 479.17
• IUPAC Name: 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](C)Cc1cccc(C(=O)O)c1
• InChI: InChI=1S/C26H23F2N3O4/c1-15(12-17-6-3-7-18(13-17)26(33)34)29-25(32)23-16(2)30-24-22(10-5-11-31(23)24)35-14-19-20(27)8-4-9-21(19)28/h3-11,13,15H,12,14H2,1-2H3,(H,29,32)(H,33,34)/t15-/m0/s1
• InChIKey: PZVIYSDJVXPKIX-HNNXBMFYSA-N
• XLogP: 4.56
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.48
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid?

The IUPAC name of 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid (CID 90091308) is 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid.

What is the SMILES notation for 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid?

The canonical SMILES for 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](C)Cc1cccc(C(=O)O)c1.

What is the InChIKey of 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid?

The InChIKey is PZVIYSDJVXPKIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H23F2N3O4/c1-15(12-17-6-3-7-18(13-17)26(33)34)29-25(32)23-16(2)30-24-22(10-5-11-31(23)24)35-14-19-20(27)8-4-9-21(19)28/h3-11,13,15H,12,14H2,1-2H3,(H,29,32)(H,33,34)/t15-/m0/s1.

What are the key properties of 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid?

3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid has a molecular weight of 479.48 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid is sourced from PubChem (CID 90091308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).