6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine

C23H21F3N6O — CID 175029624

About 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine (PubChem CID 175029624) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
• PubChem CID: 175029624
• Molecular Formula: C23H21F3N6O
• Molecular Weight: 454.46 g/mol
• Exact Mass: 454.17
• IUPAC Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
• SMILES: COc1nc(-c2cc(C)c(NC(C)c3cc(F)c(F)c(F)c3)nn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21F3N6O/c1-12-7-19(18-5-6-20(23(29-18)33-4)32-10-13(2)27-11-32)30-31-22(12)28-14(3)15-8-16(24)21(26)17(25)9-15/h5-11,14H,1-4H3,(H,28,31)
• InChIKey: AWXWBOLYIDMHCI-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.46
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine?

The IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine (CID 175029624) is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine.

What is the SMILES notation for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine?

The canonical SMILES for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine is COc1nc(-c2cc(C)c(NC(C)c3cc(F)c(F)c(F)c3)nn2)ccc1-n1cnc(C)c1.

What is the InChIKey of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine?

The InChIKey is AWXWBOLYIDMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-12-7-19(18-5-6-20(23(29-18)33-4)32-10-13(2)27-11-32)30-31-22(12)28-14(3)15-8-16(24)21(26)17(25)9-15/h5-11,14H,1-4H3,(H,28,31).

What are the key properties of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine?

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine has a molecular weight of 454.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 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-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 175029624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).