3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine

C27H25N3O2 — CID 66864843

IUPAC3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
SMILESCOc1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCC3)cc2)nn1
InChIInChI=1S/C27H25N3O2/c1-31-26-15-14-25(29-30-26)20-6-8-21(9-7-20)27(16-4-17-27)22-10-12-24(13-11-22)32-19-23-5-2-3-18-28-23/h2-3,5-15,18H,4,16-17,19H2,1H3
InChIKeyFNDGDHQZLHWGIQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.60
Rot. Bonds7

About 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine

3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine (PubChem CID 66864843) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
PubChem CID66864843
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
SMILESCOc1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCC3)cc2)nn1
InChIInChI=1S/C27H25N3O2/c1-31-26-15-14-25(29-30-26)20-6-8-21(9-7-20)27(16-4-17-27)22-10-12-24(13-11-22)32-19-23-5-2-3-18-28-23/h2-3,5-15,18H,4,16-17,19H2,1H3
InChIKeyFNDGDHQZLHWGIQ-UHFFFAOYSA-N
XLogP5.60
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
CID 66863853
4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
CID 66864364
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine
CID 68718460
3-chloro-6-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine
CID 59416741
4-[3,3-difluoro-1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzaldehyde
CID 88984289
4-[(1-methylcyclobutyl)-[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 141138739
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
2-[[4-[1-(1-methylcyclobutyl)-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
CID 11510469
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine?
The IUPAC name of 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine (CID 66864843) is 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine is COc1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCC3)cc2)nn1.
What is the InChIKey of 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine?
The InChIKey is FNDGDHQZLHWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-31-26-15-14-25(29-30-26)20-6-8-21(9-7-20)27(16-4-17-27)22-10-12-24(13-11-22)32-19-23-5-2-3-18-28-23/h2-3,5-15,18H,4,16-17,19H2,1H3.
What are the key properties of 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine?
3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine has a molecular weight of 423.52 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine is sourced from PubChem (CID 66864843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).