3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C31H24ClN3O4 — CID 170882706

About 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 170882706) has the molecular formula C31H24ClN3O4 and a molecular weight of 538.00 g/mol. Its IUPAC name is 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

• Compound Name: 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• PubChem CID: 170882706
• Molecular Formula: C31H24ClN3O4
• Molecular Weight: 538.00 g/mol
• Exact Mass: 537.15
• IUPAC Name: 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• SMILES: O=C(NC(Cc1c(-c2ccccc2)nc2ccc(Cl)cn12)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C31H24ClN3O4/c32-20-14-15-28-34-29(19-8-2-1-3-9-19)27(35(28)17-20)16-26(30(36)37)33-31(38)39-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-15,17,25-26H,16,18H2,(H,33,38)(H,36,37)
• InChIKey: ASLDVTAFXLQAKY-UHFFFAOYSA-N
• XLogP: 6.19
• 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	538.00
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The IUPAC name of 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 170882706) is 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

What is the SMILES notation for 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The canonical SMILES for 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(NC(Cc1c(-c2ccccc2)nc2ccc(Cl)cn12)C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

The InChIKey is ASLDVTAFXLQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClN3O4/c32-20-14-15-28-34-29(19-8-2-1-3-9-19)27(35(28)17-20)16-26(30(36)37)33-31(38)39-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-15,17,25-26H,16,18H2,(H,33,38)(H,36,37).

What are the key properties of 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?

3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 538.00 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 170882706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).