2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine

C33H37N5 — CID 52936576

About 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine

2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine (PubChem CID 52936576) has the molecular formula C33H37N5 and a molecular weight of 503.69 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine.

Molecular Properties

• Compound Name: 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine
• PubChem CID: 52936576
• Molecular Formula: C33H37N5
• Molecular Weight: 503.69 g/mol
• Exact Mass: 503.30
• IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine
• SMILES: Cc1cc(CCc2cncc(CCc3cc(C)nc(-n4c(C)ccc4C)c3)c2)nc(-n2c(C)ccc2C)c1
• InChI: InChI=1S/C33H37N5/c1-22-15-31(36-32(16-22)37-24(3)7-8-25(37)4)14-13-30-18-29(20-34-21-30)12-11-28-17-23(2)35-33(19-28)38-26(5)9-10-27(38)6/h7-10,15-21H,11-14H2,1-6H3
• InChIKey: MVWNSIXFJSTBDB-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.69
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine?

The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine (CID 52936576) is 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine.

What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine?

The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine is Cc1cc(CCc2cncc(CCc3cc(C)nc(-n4c(C)ccc4C)c3)c2)nc(-n2c(C)ccc2C)c1.

What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine?

The InChIKey is MVWNSIXFJSTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5/c1-22-15-31(36-32(16-22)37-24(3)7-8-25(37)4)14-13-30-18-29(20-34-21-30)12-11-28-17-23(2)35-33(19-28)38-26(5)9-10-27(38)6/h7-10,15-21H,11-14H2,1-6H3.

What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine?

2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine has a molecular weight of 503.69 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylpyrrol-1-yl)-4-[2-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]ethyl]-6-methylpyridine is sourced from PubChem (CID 52936576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).