2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

C34H41N5OS — CID 69038138

About 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (PubChem CID 69038138) has the molecular formula C34H41N5OS and a molecular weight of 567.80 g/mol. Its IUPAC name is 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• PubChem CID: 69038138
• Molecular Formula: C34H41N5OS
• Molecular Weight: 567.80 g/mol
• Exact Mass: 567.30
• IUPAC Name: 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
• SMILES: Cc1cnc(CNCCCc2ccc(CCCN3CCC(C(C(N)=O)(c4ccccc4)c4ccccc4)C3)s2)cn1
• InChI: InChI=1S/C34H41N5OS/c1-26-22-38-30(24-37-26)23-36-19-8-14-31-16-17-32(41-31)15-9-20-39-21-18-29(25-39)34(33(35)40,27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,16-17,22,24,29,36H,8-9,14-15,18-21,23,25H2,1H3,(H2,35,40)
• InChIKey: FDKLMAPRKVXFJE-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.80
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The IUPAC name of 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide (CID 69038138) is 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide.

What is the SMILES notation for 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The canonical SMILES for 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is Cc1cnc(CNCCCc2ccc(CCCN3CCC(C(C(N)=O)(c4ccccc4)c4ccccc4)C3)s2)cn1.

What is the InChIKey of 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

The InChIKey is FDKLMAPRKVXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5OS/c1-26-22-38-30(24-37-26)23-36-19-8-14-31-16-17-32(41-31)15-9-20-39-21-18-29(25-39)34(33(35)40,27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,16-17,22,24,29,36H,8-9,14-15,18-21,23,25H2,1H3,(H2,35,40).

What are the key properties of 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide?

2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 567.80 g/mol, XLogP of 5.30, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[5-[3-[(5-methylpyrazin-2-yl)methylamino]propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 69038138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).