N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide

C23H28N6O4S2 — CID 169271892

About N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide

N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 169271892) has the molecular formula C23H28N6O4S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 169271892
• Molecular Formula: C23H28N6O4S2
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.16
• IUPAC Name: N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
• SMILES: CC(C)(C)S(=O)(=O)NC(=O)c1ccc(N2CCN(Cc3cc(-c4cncc(O)c4)cs3)CC2)nn1
• InChI: InChI=1S/C23H28N6O4S2/c1-23(2,3)35(32,33)27-22(31)20-4-5-21(26-25-20)29-8-6-28(7-9-29)14-19-11-17(15-34-19)16-10-18(30)13-24-12-16/h4-5,10-13,15,30H,6-9,14H2,1-3H3,(H,27,31)
• InChIKey: UZZHQEIKCFZFMP-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 128.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 169271892) is N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1ccc(N2CCN(Cc3cc(-c4cncc(O)c4)cs3)CC2)nn1.

What is the InChIKey of N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

The InChIKey is UZZHQEIKCFZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S2/c1-23(2,3)35(32,33)27-22(31)20-4-5-21(26-25-20)29-8-6-28(7-9-29)14-19-11-17(15-34-19)16-10-18(30)13-24-12-16/h4-5,10-13,15,30H,6-9,14H2,1-3H3,(H,27,31).

What are the key properties of N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide?

N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butylsulfonyl-6-[4-[[4-(5-hydroxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 169271892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).