6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine

C25H24F4N6O — CID 162614026

About 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine (PubChem CID 162614026) has the molecular formula C25H24F4N6O and a molecular weight of 500.50 g/mol. Its IUPAC name is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine
• PubChem CID: 162614026
• Molecular Formula: C25H24F4N6O
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.19
• IUPAC Name: 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine
• SMILES: COc1nc(-c2cc(C)c(N[C@@](C)(CC(F)(F)F)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H24F4N6O/c1-15-11-20(19-9-10-21(23(31-19)36-4)35-12-16(2)30-14-35)33-34-22(15)32-24(3,13-25(27,28)29)17-5-7-18(26)8-6-17/h5-12,14H,13H2,1-4H3,(H,32,34)/t24-/m0/s1
• InChIKey: AAFWMCJBYSPBHL-DEOSSOPVSA-N
• XLogP: 5.77
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
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-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine?

The IUPAC name of 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine (CID 162614026) is 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine.

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

The canonical SMILES for 6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine is COc1nc(-c2cc(C)c(N[C@@](C)(CC(F)(F)F)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1.

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

The InChIKey is AAFWMCJBYSPBHL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24F4N6O/c1-15-11-20(19-9-10-21(23(31-19)36-4)35-12-16(2)30-14-35)33-34-22(15)32-24(3,13-25(27,28)29)17-5-7-18(26)8-6-17/h5-12,14H,13H2,1-4H3,(H,32,34)/t24-/m0/s1.

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

6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine has a molecular weight of 500.50 g/mol, XLogP of 5.77, 7 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-[(2S)-4,4,4-trifluoro-2-(4-fluorophenyl)butan-2-yl]pyridazin-3-amine is sourced from PubChem (CID 162614026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).