5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid

C32H28FN5O4 — CID 90096070

About 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid

5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid (PubChem CID 90096070) has the molecular formula C32H28FN5O4 and a molecular weight of 565.61 g/mol. Its IUPAC name is 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid.

Molecular Properties

• Compound Name: 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid
• PubChem CID: 90096070
• Molecular Formula: C32H28FN5O4
• Molecular Weight: 565.61 g/mol
• Exact Mass: 565.21
• IUPAC Name: 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2CC(N)Cc2c[nH]c3ccccc23)ccc1F.O=CO
• InChI: InChI=1S/C31H26FN5O2.CH2O2/c1-18-13-19(8-10-25(18)32)30-24(6-4-12-34-30)23-9-11-29-36-17-28(31(38)39)37(29)27(23)15-21(33)14-20-16-35-26-7-3-2-5-22(20)26;2-1-3/h2-13,16-17,21,35H,14-15,33H2,1H3,(H,38,39);1H,(H,2,3)
• InChIKey: PYVLGCYEYFNPBT-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 146.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid?

The IUPAC name of 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid (CID 90096070) is 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid.

What is the SMILES notation for 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid?

The canonical SMILES for 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2CC(N)Cc2c[nH]c3ccccc23)ccc1F.O=CO.

What is the InChIKey of 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid?

The InChIKey is PYVLGCYEYFNPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2.CH2O2/c1-18-13-19(8-10-25(18)32)30-24(6-4-12-34-30)23-9-11-29-36-17-28(31(38)39)37(29)27(23)15-21(33)14-20-16-35-26-7-3-2-5-22(20)26;2-1-3/h2-13,16-17,21,35H,14-15,33H2,1H3,(H,38,39);1H,(H,2,3).

What are the key properties of 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid?

5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid has a molecular weight of 565.61 g/mol, XLogP of 5.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-amino-3-(1H-indol-3-yl)propyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;formic acid is sourced from PubChem (CID 90096070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).