2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen

C34H44N4O3 — CID 143171904

About 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen

2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen (PubChem CID 143171904) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen
• PubChem CID: 143171904
• Molecular Formula: C34H44N4O3
• Molecular Weight: 556.75 g/mol
• Exact Mass: 556.34
• IUPAC Name: 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen
• SMILES: COCCOc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.[H][H]
• InChI: InChI=1S/C34H42N4O3.H2/c1-40-22-23-41-29-17-15-27(16-18-29)32-25-38(33-31(32)14-9-20-36-33)21-8-2-3-13-30(26-10-4-5-11-26)34(39)37-24-28-12-6-7-19-35-28;/h6-7,9,12,14-20,25-26,30H,2-5,8,10-11,13,21-24H2,1H3,(H,37,39);1H
• InChIKey: WSPCRGQSOLLYMX-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.75
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
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-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen?

The IUPAC name of 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen (CID 143171904) is 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen.

What is the SMILES notation for 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen?

The canonical SMILES for 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen is COCCOc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.[H][H].

What is the InChIKey of 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen?

The InChIKey is WSPCRGQSOLLYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O3.H2/c1-40-22-23-41-29-17-15-27(16-18-29)32-25-38(33-31(32)14-9-20-36-33)21-8-2-3-13-30(26-10-4-5-11-26)34(39)37-24-28-12-6-7-19-35-28;/h6-7,9,12,14-20,25-26,30H,2-5,8,10-11,13,21-24H2,1H3,(H,37,39);1H.

What are the key properties of 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen?

2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen has a molecular weight of 556.75 g/mol, XLogP of 7.05, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;molecular hydrogen is sourced from PubChem (CID 143171904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).