6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine

C24H22F3N5O — CID 42632633

About 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine

6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine (PubChem CID 42632633) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
• PubChem CID: 42632633
• Molecular Formula: C24H22F3N5O
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.18
• IUPAC Name: 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
• SMILES: COc1cc(-c2ccc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H22F3N5O/c1-15-13-32(14-28-15)21-10-6-18(12-22(21)33-3)20-9-11-23(31-30-20)29-16(2)17-4-7-19(8-5-17)24(25,26)27/h4-14,16H,1-3H3,(H,29,31)/t16-/m0/s1
• InChIKey: DYQVVZSVHYGEEV-INIZCTEOSA-N
• XLogP: 5.84
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?

The IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine (CID 42632633) is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine.

What is the SMILES notation for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?

The canonical SMILES for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine is COc1cc(-c2ccc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1cnc(C)c1.

What is the InChIKey of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?

The InChIKey is DYQVVZSVHYGEEV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-15-13-32(14-28-15)21-10-6-18(12-22(21)33-3)20-9-11-23(31-30-20)29-16(2)17-4-7-19(8-5-17)24(25,26)27/h4-14,16H,1-3H3,(H,29,31)/t16-/m0/s1.

What are the key properties of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine?

6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine has a molecular weight of 453.47 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine is sourced from PubChem (CID 42632633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).