4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine

C25H25N5O2 — CID 42632668

IUPAC4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
SMILESCOc1cc(-c2ccc(N3CCOCC3c3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25N5O2/c1-18-15-29(17-26-18)22-10-8-20(14-24(22)31-2)21-9-11-25(28-27-21)30-12-13-32-16-23(30)19-6-4-3-5-7-19/h3-11,14-15,17,23H,12-13,16H2,1-2H3
InChIKeyZAVWPKAWBVYAPS-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.22
Rot. Bonds5

About 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine

4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine (PubChem CID 42632668) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine.

Molecular Properties

Compound Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
PubChem CID42632668
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
SMILESCOc1cc(-c2ccc(N3CCOCC3c3ccccc3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25N5O2/c1-18-15-29(17-26-18)22-10-8-20(14-24(22)31-2)21-9-11-25(28-27-21)30-12-13-32-16-23(30)19-6-4-3-5-7-19/h3-11,14-15,17,23H,12-13,16H2,1-2H3
InChIKeyZAVWPKAWBVYAPS-UHFFFAOYSA-N
XLogP4.22
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
CID 69028039
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
CID 42632791
(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 123814568
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5-phenylazepane
CID 59472541
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822
1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-2-one
CID 59472614
(3S,5S)-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-5-phenyl-1-(2,2,2-trifluoroethyl)azepan-2-one
CID 59472872
4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 59472479

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine?
The IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine (CID 42632668) is 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine.
What is the SMILES notation for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine?
The canonical SMILES for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine is COc1cc(-c2ccc(N3CCOCC3c3ccccc3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine?
The InChIKey is ZAVWPKAWBVYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-15-29(17-26-18)22-10-8-20(14-24(22)31-2)21-9-11-25(28-27-21)30-12-13-32-16-23(30)19-6-4-3-5-7-19/h3-11,14-15,17,23H,12-13,16H2,1-2H3.
What are the key properties of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine?
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine has a molecular weight of 427.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine is sourced from PubChem (CID 42632668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).