7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine

C24H23FN4O3S — CID 90217657

IUPAC7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine
SMILESCOc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F
InChIInChI=1S/C24H23FN4O3S/c1-14(2)33(30,31)17-7-8-18(22(11-17)32-3)19-10-15(4-9-21(19)25)20-12-27-28-24-23(20)26-13-29(24)16-5-6-16/h4,7-14,16H,5-6H2,1-3H3
InChIKeyAAHOKZZOQDIZPP-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.82
Rot. Bonds6

About 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine

7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine (PubChem CID 90217657) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine
PubChem CID90217657
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine
SMILESCOc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F
InChIInChI=1S/C24H23FN4O3S/c1-14(2)33(30,31)17-7-8-18(22(11-17)32-3)19-10-15(4-9-21(19)25)20-12-27-28-24-23(20)26-13-29(24)16-5-6-16/h4,7-14,16H,5-6H2,1-3H3
InChIKeyAAHOKZZOQDIZPP-UHFFFAOYSA-N
XLogP4.82
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine (CID 90217657) is 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine is COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F.
What is the InChIKey of 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine?
The InChIKey is AAHOKZZOQDIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-14(2)33(30,31)17-7-8-18(22(11-17)32-3)19-10-15(4-9-21(19)25)20-12-27-28-24-23(20)26-13-29(24)16-5-6-16/h4,7-14,16H,5-6H2,1-3H3.
What are the key properties of 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine?
7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine has a molecular weight of 466.54 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-[4-fluoro-3-(2-methoxy-4-propan-2-ylsulfonylphenyl)phenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 90217657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).