2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C38H44N8O4 — CID 129136086

About 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136086) has the molecular formula C38H44N8O4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136086
• Molecular Formula: C38H44N8O4
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.35
• IUPAC Name: 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1cccc(N2CCOCC2)c1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cccc(N5CCOCC5)c4)nn3)C2)nn1
• InChI: InChI=1S/C38H44N8O4/c47-37(24-27-4-1-8-31(22-27)45-14-18-49-19-15-45)39-35-12-10-33(41-43-35)29-6-3-7-30(26-29)34-11-13-36(44-42-34)40-38(48)25-28-5-2-9-32(23-28)46-16-20-50-21-17-46/h1-2,4-5,8-13,22-23,29-30H,3,6-7,14-21,24-26H2,(H,39,43,47)(H,40,44,48)/t29-,30-/m0/s1
• InChIKey: GVKGWVZIPCTXRM-KYJUHHDHSA-N
• XLogP: 4.74
• TPSA: 134.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136086) is 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1cccc(N2CCOCC2)c1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cccc(N5CCOCC5)c4)nn3)C2)nn1.

What is the InChIKey of 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is GVKGWVZIPCTXRM-KYJUHHDHSA-N. The full InChI is InChI=1S/C38H44N8O4/c47-37(24-27-4-1-8-31(22-27)45-14-18-49-19-15-45)39-35-12-10-33(41-43-35)29-6-3-7-30(26-29)34-11-13-36(44-42-34)40-38(48)25-28-5-2-9-32(23-28)46-16-20-50-21-17-46/h1-2,4-5,8-13,22-23,29-30H,3,6-7,14-21,24-26H2,(H,39,43,47)(H,40,44,48)/t29-,30-/m0/s1.

What are the key properties of 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 676.82 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).