6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C25H25N7O3 — CID 169271086

About 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 169271086) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• PubChem CID: 169271086
• Molecular Formula: C25H25N7O3
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.20
• IUPAC Name: 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• SMILES: CCCNC(=O)c1ccc(N2CCN(C(=O)c3cncc(C#Cc4cncc(O)c4)c3)CC2)nn1
• InChI: InChI=1S/C25H25N7O3/c1-2-7-28-24(34)22-5-6-23(30-29-22)31-8-10-32(11-9-31)25(35)20-12-18(14-26-16-20)3-4-19-13-21(33)17-27-15-19/h5-6,12-17,33H,2,7-11H2,1H3,(H,28,34)
• InChIKey: BUMKVIWABFVDBP-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 169271086) is 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3cncc(C#Cc4cncc(O)c4)c3)CC2)nn1.

What is the InChIKey of 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The InChIKey is BUMKVIWABFVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-2-7-28-24(34)22-5-6-23(30-29-22)31-8-10-32(11-9-31)25(35)20-12-18(14-26-16-20)3-4-19-13-21(33)17-27-15-19/h5-6,12-17,33H,2,7-11H2,1H3,(H,28,34).

What are the key properties of 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[2-(5-hydroxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 169271086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).