4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine

C25H25N5O2 — CID 42632659

IUPAC4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
SMILESCOc1cc(-c2ccc(N3CCOC(c4ccccc4)C3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25N5O2/c1-18-15-30(17-26-18)22-10-8-20(14-23(22)31-2)21-9-11-25(28-27-21)29-12-13-32-24(16-29)19-6-4-3-5-7-19/h3-11,14-15,17,24H,12-13,16H2,1-2H3
InChIKeyXBIDVXVRNFQTMW-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.22
Rot. Bonds5

About 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine

4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine (PubChem CID 42632659) 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]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
PubChem CID42632659
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
SMILESCOc1cc(-c2ccc(N3CCOC(c4ccccc4)C3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25N5O2/c1-18-15-30(17-26-18)22-10-8-20(14-23(22)31-2)21-9-11-25(28-27-21)29-12-13-32-24(16-29)19-6-4-3-5-7-19/h3-11,14-15,17,24H,12-13,16H2,1-2H3
InChIKeyXBIDVXVRNFQTMW-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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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine?
The IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine (CID 42632659) is 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine.
What is the SMILES notation for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine?
The canonical SMILES for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine is COc1cc(-c2ccc(N3CCOC(c4ccccc4)C3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine?
The InChIKey is XBIDVXVRNFQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-15-30(17-26-18)22-10-8-20(14-23(22)31-2)21-9-11-25(28-27-21)29-12-13-32-24(16-29)19-6-4-3-5-7-19/h3-11,14-15,17,24H,12-13,16H2,1-2H3.
What are the key properties of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine?
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-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]-2-phenylmorpholine is sourced from PubChem (CID 42632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).