[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C₂₄H₂₃N₇O₂ — CID 134391201

About [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391201) has the molecular formula C₂₄H₂₃N₇O₂ and a molecular weight of 441.50 g/mol. Its IUPAC name is [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• PubChem CID: 134391201
• Molecular Formula: C₂₄H₂₃N₇O₂
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• SMILES: Cc1cn(-c2ccc(-c3cc(C)c(NC(C)c4nc5ccccc5o4)nn3)nc2CO)cn1
• InChI: InChI=1S/C24H23N7O2/c1-14-10-19(17-8-9-21(20(12-32)27-17)31-11-15(2)25-13-31)29-30-23(14)26-16(3)24-28-18-6-4-5-7-22(18)33-24/h4-11,13,16,32H,12H2,1-3H3,(H,26,30)
• InChIKey: PWFHMJDBSMUGJC-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The IUPAC name of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391201) is [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

What is the SMILES notation for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The canonical SMILES for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is Cc1cn(-c2ccc(-c3cc(C)c(NC(C)c4nc5ccccc5o4)nn3)nc2CO)cn1.

What is the InChIKey of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The InChIKey is PWFHMJDBSMUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-14-10-19(17-8-9-21(20(12-32)27-17)31-11-15(2)25-13-31)29-30-23(14)26-16(3)24-28-18-6-4-5-7-22(18)33-24/h4-11,13,16,32H,12H2,1-3H3,(H,26,30).

What are the key properties of [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

[6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 441.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[6-[1-(1,3-benzoxazol-2-yl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134391201 — identifiers, structure, computed properties (public domain)

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