(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

C26H36N6O2 — CID 92691421

About (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 92691421) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
• PubChem CID: 92691421
• Molecular Formula: C26H36N6O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.29
• IUPAC Name: (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
• SMILES: Cc1nn([C@H](C)C(=O)NCCCN(C)C2CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
• InChI: InChI=1S/C26H36N6O2/c1-18-23-19(2)31(22-14-9-6-10-15-22)29-24(23)26(34)32(28-18)20(3)25(33)27-16-11-17-30(4)21-12-7-5-8-13-21/h6,9-10,14-15,20-21H,5,7-8,11-13,16-17H2,1-4H3,(H,27,33)/t20-/m1/s1
• InChIKey: ZGYUQBJXXQKMHA-HXUWFJFHSA-N
• XLogP: 3.53
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?

The IUPAC name of (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (CID 92691421) is (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.

What is the SMILES notation for (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?

The canonical SMILES for (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is Cc1nn([C@H](C)C(=O)NCCCN(C)C2CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12.

What is the InChIKey of (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?

The InChIKey is ZGYUQBJXXQKMHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-18-23-19(2)31(22-14-9-6-10-15-22)29-24(23)26(34)32(28-18)20(3)25(33)27-16-11-17-30(4)21-12-7-5-8-13-21/h6,9-10,14-15,20-21H,5,7-8,11-13,16-17H2,1-4H3,(H,27,33)/t20-/m1/s1.

What are the key properties of (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?

(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 464.61 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 92691421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).