2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

C31H24FN3O4 — CID 170882557

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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 170882557) has the molecular formula C31H24FN3O4 and a molecular weight of 521.55 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
• PubChem CID: 170882557
• Molecular Formula: C31H24FN3O4
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.18
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
• SMILES: O=C(NC(Cc1c(-c2ccc(F)cc2)nc2ccccn12)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C31H24FN3O4/c32-20-14-12-19(13-15-20)29-27(35-16-6-5-11-28(35)34-29)17-26(30(36)37)33-31(38)39-18-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-16,25-26H,17-18H2,(H,33,38)(H,36,37)
• InChIKey: OXZJYQCVJUSJIO-UHFFFAOYSA-N
• XLogP: 5.67
• 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	521.55
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 170882557) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid.

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

The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is O=C(NC(Cc1c(-c2ccc(F)cc2)nc2ccccn12)C(=O)O)OCC1c2ccccc2-c2ccccc21.

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

The InChIKey is OXZJYQCVJUSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN3O4/c32-20-14-12-19(13-15-20)29-27(35-16-6-5-11-28(35)34-29)17-26(30(36)37)33-31(38)39-18-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-16,25-26H,17-18H2,(H,33,38)(H,36,37).

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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 521.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 170882557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).