N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide

C27H29N7O2 — CID 129136000

About N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide

N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 129136000) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide
• PubChem CID: 129136000
• Molecular Formula: C27H29N7O2
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.24
• IUPAC Name: N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide
• SMILES: CC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cn(C)c5ccccc45)nn3)C2)nn1
• InChI: InChI=1S/C27H29N7O2/c1-17(35)28-25-12-10-22(30-32-25)18-6-5-7-19(14-18)23-11-13-26(33-31-23)29-27(36)15-20-16-34(2)24-9-4-3-8-21(20)24/h3-4,8-13,16,18-19H,5-7,14-15H2,1-2H3,(H,28,32,35)(H,29,33,36)/t18-,19-/m0/s1
• InChIKey: ZMFQVBMHAHDVCR-OALUTQOASA-N
• XLogP: 4.34
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide?

The IUPAC name of N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide (CID 129136000) is N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide.

What is the SMILES notation for N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide?

The canonical SMILES for N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide is CC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cn(C)c5ccccc45)nn3)C2)nn1.

What is the InChIKey of N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide?

The InChIKey is ZMFQVBMHAHDVCR-OALUTQOASA-N. The full InChI is InChI=1S/C27H29N7O2/c1-17(35)28-25-12-10-22(30-32-25)18-6-5-7-19(14-18)23-11-13-26(33-31-23)29-27(36)15-20-16-34(2)24-9-4-3-8-21(20)24/h3-4,8-13,16,18-19H,5-7,14-15H2,1-2H3,(H,28,32,35)(H,29,33,36)/t18-,19-/m0/s1.

What are the key properties of N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide?

N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 483.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(1S,3S)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 129136000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).