2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane

C30H39N7O2 — CID 155740707

About 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane

2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane (PubChem CID 155740707) has the molecular formula C30H39N7O2 and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane.

Molecular Properties

• Compound Name: 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane
• PubChem CID: 155740707
• Molecular Formula: C30H39N7O2
• Molecular Weight: 529.69 g/mol
• Exact Mass: 529.32
• IUPAC Name: 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane
• SMILES: CC.CC.NC(=O)Cc1ccc(N2CCC(n3cc(-c4cc(-c5ccccc5O)nnc4N)cn3)CC2)cc1
• InChI: InChI=1S/C26H27N7O2.2C2H6/c27-25(35)13-17-5-7-19(8-6-17)32-11-9-20(10-12-32)33-16-18(15-29-33)22-14-23(30-31-26(22)28)21-3-1-2-4-24(21)34;2*1-2/h1-8,14-16,20,34H,9-13H2,(H2,27,35)(H2,28,31);2*1-2H3
• InChIKey: SYZPWLPOUQAJQK-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 136.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.69
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane?

The IUPAC name of 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane (CID 155740707) is 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane.

What is the SMILES notation for 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane?

The canonical SMILES for 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane is CC.CC.NC(=O)Cc1ccc(N2CCC(n3cc(-c4cc(-c5ccccc5O)nnc4N)cn3)CC2)cc1.

What is the InChIKey of 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane?

The InChIKey is SYZPWLPOUQAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.2C2H6/c27-25(35)13-17-5-7-19(8-6-17)32-11-9-20(10-12-32)33-16-18(15-29-33)22-14-23(30-31-26(22)28)21-3-1-2-4-24(21)34;2*1-2/h1-8,14-16,20,34H,9-13H2,(H2,27,35)(H2,28,31);2*1-2H3.

What are the key properties of 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane?

2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane has a molecular weight of 529.69 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane is sourced from PubChem (CID 155740707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).