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

C25H27N5O — CID 158624653

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

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine (PubChem CID 158624653) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine.

Molecular Properties

• Compound Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
• PubChem CID: 158624653
• Molecular Formula: C25H27N5O
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.22
• IUPAC Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
• SMILES: COc1nc(-c2cc(C)c(C[C@@H](C)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H27N5O/c1-16-6-8-20(9-7-16)17(2)12-22-18(3)13-23(29-28-22)21-10-11-24(25(27-21)31-5)30-14-19(4)26-15-30/h6-11,13-15,17H,12H2,1-5H3/t17-/m1/s1
• InChIKey: LKTRMNXHGNVJFL-QGZVFWFLSA-N
• XLogP: 5.00
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine (CID 158624653) is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine.

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

The canonical SMILES for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine is COc1nc(-c2cc(C)c(C[C@@H](C)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1.

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

The InChIKey is LKTRMNXHGNVJFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5O/c1-16-6-8-20(9-7-16)17(2)12-22-18(3)13-23(29-28-22)21-10-11-24(25(27-21)31-5)30-14-19(4)26-15-30/h6-11,13-15,17H,12H2,1-5H3/t17-/m1/s1.

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

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine has a molecular weight of 413.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(4-methylphenyl)propyl]pyridazine is sourced from PubChem (CID 158624653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).