6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine

C24H25N5O2 — CID 42632682

IUPAC6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine
SMILESCOC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17-14-29(16-25-17)22-11-9-19(13-23(22)31-3)20-10-12-24(28-27-20)26-21(15-30-2)18-7-5-4-6-8-18/h4-14,16,21H,15H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyGSWDHTCUBCDGFJ-NRFANRHFSA-N
MW415.50 g/mol
LogP4.45
Rot. Bonds8

About 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine

6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine (PubChem CID 42632682) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine
PubChem CID42632682
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine
SMILESCOC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17-14-29(16-25-17)22-11-9-19(13-23(22)31-3)20-10-12-24(28-27-20)26-21(15-30-2)18-7-5-4-6-8-18/h4-14,16,21H,15H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyGSWDHTCUBCDGFJ-NRFANRHFSA-N
XLogP4.45
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine?
The IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine (CID 42632682) is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine?
The canonical SMILES for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine is COC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccccc1.
What is the InChIKey of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine?
The InChIKey is GSWDHTCUBCDGFJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-14-29(16-25-17)22-11-9-19(13-23(22)31-3)20-10-12-24(28-27-20)26-21(15-30-2)18-7-5-4-6-8-18/h4-14,16,21H,15H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine?
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine has a molecular weight of 415.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine is sourced from PubChem (CID 42632682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).