6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine

C26H28N6O2 — CID 42632791

IUPAC6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3cccc(N4CCOCC4)c3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28N6O2/c1-19-17-32(18-28-19)24-8-6-21(15-25(24)33-2)23-7-9-26(30-29-23)27-16-20-4-3-5-22(14-20)31-10-12-34-13-11-31/h3-9,14-15,17-18H,10-13,16H2,1-2H3,(H,27,30)
InChIKeyDXYICANKWFOONM-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.10
Rot. Bonds7

About 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine

6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine (PubChem CID 42632791) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
PubChem CID42632791
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3cccc(N4CCOCC4)c3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28N6O2/c1-19-17-32(18-28-19)24-8-6-21(15-25(24)33-2)23-7-9-26(30-29-23)27-16-20-4-3-5-22(14-20)31-10-12-34-13-11-31/h3-9,14-15,17-18H,10-13,16H2,1-2H3,(H,27,30)
InChIKeyDXYICANKWFOONM-UHFFFAOYSA-N
XLogP4.10
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
CID 42632845
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
CID 42632659
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
CID 42632668
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
1-(4-tert-butylphenyl)-4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidine
CID 59472447
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
CID 69028039
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391164
5-chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]pentanamide
CID 69477811
1-[1-[bis(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazole
CID 59472503
(2E)-5-chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-(5-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 66960274

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine (CID 42632791) is 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine is COc1cc(-c2ccc(NCc3cccc(N4CCOCC4)c3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine?
The InChIKey is DXYICANKWFOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-19-17-32(18-28-19)24-8-6-21(15-25(24)33-2)23-7-9-26(30-29-23)27-16-20-4-3-5-22(14-20)31-10-12-34-13-11-31/h3-9,14-15,17-18H,10-13,16H2,1-2H3,(H,27,30).
What are the key properties of 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine?
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine has a molecular weight of 456.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 42632791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).