3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C32H26ClN3O4 — CID 170882630

About 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 170882630) has the molecular formula C32H26ClN3O4 and a molecular weight of 552.03 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• PubChem CID: 170882630
• Molecular Formula: C32H26ClN3O4
• Molecular Weight: 552.03 g/mol
• Exact Mass: 551.16
• IUPAC Name: 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• SMILES: Cc1cccn2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c(-c3ccc(Cl)cc3)nc12
• InChI: InChI=1S/C32H26ClN3O4/c1-19-7-6-16-36-28(29(35-30(19)36)20-12-14-21(33)15-13-20)17-27(31(37)38)34-32(39)40-18-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,34,39)(H,37,38)
• InChIKey: ZHLINEKOJKXMKJ-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.03
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The IUPAC name of 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 170882630) is 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

What is the SMILES notation for 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The canonical SMILES for 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is Cc1cccn2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c(-c3ccc(Cl)cc3)nc12.

What is the InChIKey of 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The InChIKey is ZHLINEKOJKXMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClN3O4/c1-19-7-6-16-36-28(29(35-30(19)36)20-12-14-21(33)15-13-20)17-27(31(37)38)34-32(39)40-18-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-16,26-27H,17-18H2,1H3,(H,34,39)(H,37,38).

What are the key properties of 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 552.03 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 170882630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).