3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine

C26H36FN3O2 — CID 67371358

IUPAC3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine
SMILESCCCCc1nnc(OCC2(F)CCNCC2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H36FN3O2/c1-2-3-9-24-23(18-25(30-29-24)31-19-26(27)14-16-28-17-15-26)20-10-12-22(13-11-20)32-21-7-5-4-6-8-21/h10-13,18,21,28H,2-9,14-17,19H2,1H3
InChIKeyLMRZSIBPCLUYBK-UHFFFAOYSA-N
MW441.59 g/mol
LogP5.67
Rot. Bonds9

About 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine

3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine (PubChem CID 67371358) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine.

Molecular Properties

Compound Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine
PubChem CID67371358
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine
SMILESCCCCc1nnc(OCC2(F)CCNCC2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H36FN3O2/c1-2-3-9-24-23(18-25(30-29-24)31-19-26(27)14-16-28-17-15-26)20-10-12-22(13-11-20)32-21-7-5-4-6-8-21/h10-13,18,21,28H,2-9,14-17,19H2,1H3
InChIKeyLMRZSIBPCLUYBK-UHFFFAOYSA-N
XLogP5.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.59
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine?
The IUPAC name of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine (CID 67371358) is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine.
What is the SMILES notation for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine?
The canonical SMILES for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine is CCCCc1nnc(OCC2(F)CCNCC2)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine?
The InChIKey is LMRZSIBPCLUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2/c1-2-3-9-24-23(18-25(30-29-24)31-19-26(27)14-16-28-17-15-26)20-10-12-22(13-11-20)32-21-7-5-4-6-8-21/h10-13,18,21,28H,2-9,14-17,19H2,1H3.
What are the key properties of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine?
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine has a molecular weight of 441.59 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4-fluoropiperidin-4-yl)methoxy]pyridazine is sourced from PubChem (CID 67371358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).