N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C32H29N5O2 — CID 67106374

About N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 67106374) has the molecular formula C32H29N5O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
• PubChem CID: 67106374
• Molecular Formula: C32H29N5O2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.23
• IUPAC Name: N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
• SMILES: Cc1cc(N2CCN(c3ccccn3)CC2)ccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
• InChI: InChI=1S/C32H29N5O2/c1-23-21-25(35-17-19-36(20-18-35)29-12-5-7-15-33-29)13-14-28(23)34-32(39)31(38)30-27(24-9-3-2-4-10-24)22-26-11-6-8-16-37(26)30/h2-16,21-22H,17-20H2,1H3,(H,34,39)
• InChIKey: WSHARXCSHGCCBE-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?

The IUPAC name of N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 67106374) is N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

What is the SMILES notation for N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?

The canonical SMILES for N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is Cc1cc(N2CCN(c3ccccn3)CC2)ccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.

What is the InChIKey of N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?

The InChIKey is WSHARXCSHGCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O2/c1-23-21-25(35-17-19-36(20-18-35)29-12-5-7-15-33-29)13-14-28(23)34-32(39)31(38)30-27(24-9-3-2-4-10-24)22-26-11-6-8-16-37(26)30/h2-16,21-22H,17-20H2,1H3,(H,34,39).

What are the key properties of N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?

N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 515.62 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 67106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).