6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine

C25H28N6O — CID 159126137

About 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine (PubChem CID 159126137) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine.

Molecular Properties

• Compound Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine
• PubChem CID: 159126137
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine
• SMILES: CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1
• InChI: InChI=1S/C25H28N6O/c1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31/h7-11,13-15,19H,6,12H2,1-5H3/t19-/m1/s1
• InChIKey: FFEMSPCBYVNSFI-LJQANCHMSA-N
• XLogP: 4.79
• TPSA: 78.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine?

The IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine (CID 159126137) is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine.

What is the SMILES notation for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine?

The canonical SMILES for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine is CC[C@H](Cc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C)c1ccc(C)cn1.

What is the InChIKey of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine?

The InChIKey is FFEMSPCBYVNSFI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N6O/c1-6-19(20-8-7-16(2)13-26-20)12-22-17(3)11-23(30-29-22)21-9-10-24(25(28-21)32-5)31-14-18(4)27-15-31/h7-11,13-15,19H,6,12H2,1-5H3/t19-/m1/s1.

What are the key properties of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine?

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine has a molecular weight of 428.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine is sourced from PubChem (CID 159126137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).