N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide

C33H34N8O2 — CID 117082923

About N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide

N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide (PubChem CID 117082923) has the molecular formula C33H34N8O2 and a molecular weight of 574.69 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
• PubChem CID: 117082923
• Molecular Formula: C33H34N8O2
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.28
• IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
• SMILES: O=C(Cc1cn(-c2ccc(N3CCN(c4ccccn4)CC3)nn2)c2ccccc12)Nc1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C33H34N8O2/c42-33(35-26-8-10-27(11-9-26)38-19-21-43-22-20-38)23-25-24-41(29-6-2-1-5-28(25)29)32-13-12-31(36-37-32)40-17-15-39(16-18-40)30-7-3-4-14-34-30/h1-14,24H,15-23H2,(H,35,42)
• InChIKey: WSUGDJWCMHXSQT-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 91.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide?

The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide (CID 117082923) is N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide.

What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide?

The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide is O=C(Cc1cn(-c2ccc(N3CCN(c4ccccn4)CC3)nn2)c2ccccc12)Nc1ccc(N2CCOCC2)cc1.

What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide?

The InChIKey is WSUGDJWCMHXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N8O2/c42-33(35-26-8-10-27(11-9-26)38-19-21-43-22-20-38)23-25-24-41(29-6-2-1-5-28(25)29)32-13-12-31(36-37-32)40-17-15-39(16-18-40)30-7-3-4-14-34-30/h1-14,24H,15-23H2,(H,35,42).

What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide?

N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide has a molecular weight of 574.69 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide is sourced from PubChem (CID 117082923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).