3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine

C23H30F2N2O — CID 139779129

IUPAC3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)c(F)c2F)CC1
InChIInChI=1S/C23H30F2N2O/c1-3-4-5-16-6-8-17(9-7-16)10-11-18-12-13-19(23(25)22(18)24)20-14-15-21(28-2)27-26-20/h12-17H,3-11H2,1-2H3
InChIKeyTZROBXZNYREHNF-UHFFFAOYSA-N
MW388.50 g/mol
LogP6.36
Rot. Bonds8

About 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine

3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine (PubChem CID 139779129) has the molecular formula C23H30F2N2O and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
PubChem CID139779129
Molecular FormulaC23H30F2N2O
Molecular Weight388.50 g/mol
Exact Mass388.23
IUPAC Name3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)c(F)c2F)CC1
InChIInChI=1S/C23H30F2N2O/c1-3-4-5-16-6-8-17(9-7-16)10-11-18-12-13-19(23(25)22(18)24)20-14-15-21(28-2)27-26-20/h12-17H,3-11H2,1-2H3
InChIKeyTZROBXZNYREHNF-UHFFFAOYSA-N
XLogP6.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentoxypyridazine
CID 139778516
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-hexylpyridazine
CID 139778733
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 139778778
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139779130
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778550
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
CID 139779038
3-(2,3-difluoro-4-methoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778694
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675
3-(2,3-difluoro-4-heptoxyphenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778706
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778818

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine?
The IUPAC name of 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine (CID 139779129) is 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine?
The canonical SMILES for 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine is CCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)c(F)c2F)CC1.
What is the InChIKey of 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine?
The InChIKey is TZROBXZNYREHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O/c1-3-4-5-16-6-8-17(9-7-16)10-11-18-12-13-19(23(25)22(18)24)20-14-15-21(28-2)27-26-20/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine?
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine has a molecular weight of 388.50 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine is sourced from PubChem (CID 139779129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).