1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

C28H30F3N3O5 — CID 69159542

IUPAC1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCOc1cc(OC)cc(-c2nn(-c3cc(N4CCC(OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1
InChIInChI=1S/C28H30F3N3O5/c1-37-20-12-17(13-21(15-20)38-2)26-22-4-3-5-23(22)27(36)34(32-26)25-14-18(6-7-24(25)28(29,30)31)33-9-8-19(16-33)39-11-10-35/h6-7,12-15,19,35H,3-5,8-11,16H2,1-2H3
InChIKeyFGJUQMJEXAQWCQ-UHFFFAOYSA-N
MW545.56 g/mol
LogP4.01
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one

1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (PubChem CID 69159542) has the molecular formula C28H30F3N3O5 and a molecular weight of 545.56 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
PubChem CID69159542
Molecular FormulaC28H30F3N3O5
Molecular Weight545.56 g/mol
Exact Mass545.21
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
SMILESCOc1cc(OC)cc(-c2nn(-c3cc(N4CCC(OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1
InChIInChI=1S/C28H30F3N3O5/c1-37-20-12-17(13-21(15-20)38-2)26-22-4-3-5-23(22)27(36)34(32-26)25-14-18(6-7-24(25)28(29,30)31)33-9-8-19(16-33)39-11-10-35/h6-7,12-15,19,35H,3-5,8-11,16H2,1-2H3
InChIKeyFGJUQMJEXAQWCQ-UHFFFAOYSA-N
XLogP4.01
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one 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 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one (CID 69159542) is 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
The InChIKey is FGJUQMJEXAQWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O5/c1-37-20-12-17(13-21(15-20)38-2)26-22-4-3-5-23(22)27(36)34(32-26)25-14-18(6-7-24(25)28(29,30)31)33-9-8-19(16-33)39-11-10-35/h6-7,12-15,19,35H,3-5,8-11,16H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one?
1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one has a molecular weight of 545.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[5-[3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one is sourced from PubChem (CID 69159542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).