7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

C25H25FN4O3S — CID 90217820

IUPAC7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1
InChIInChI=1S/C25H25FN4O3S/c1-3-34(31,32)18-9-10-19(23(13-18)33-2)20-12-16(8-11-22(20)26)21-14-28-29-25-24(21)27-15-30(25)17-6-4-5-7-17/h8-15,17H,3-7H2,1-2H3
InChIKeyBONFFLGZNBCWQG-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.22
Rot. Bonds6

About 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine

7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (PubChem CID 90217820) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
PubChem CID90217820
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
SMILESCCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1
InChIInChI=1S/C25H25FN4O3S/c1-3-34(31,32)18-9-10-19(23(13-18)33-2)20-12-16(8-11-22(20)26)21-14-28-29-25-24(21)27-15-30(25)17-6-4-5-7-17/h8-15,17H,3-7H2,1-2H3
InChIKeyBONFFLGZNBCWQG-UHFFFAOYSA-N
XLogP5.22
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]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 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine (CID 90217820) is 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1.
What is the InChIKey of 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
The InChIKey is BONFFLGZNBCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-3-34(31,32)18-9-10-19(23(13-18)33-2)20-12-16(8-11-22(20)26)21-14-28-29-25-24(21)27-15-30(25)17-6-4-5-7-17/h8-15,17H,3-7H2,1-2H3.
What are the key properties of 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine?
7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine has a molecular weight of 480.57 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 90217820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).