3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C25H25F3N4O — CID 134803013

IUPAC3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)N(CC1CN(Cc3cccc(C(F)(F)F)c3)C1)C2=O
InChIInChI=1S/C25H25F3N4O/c1-16-22-17(2)31(24(33)23(22)32(29-16)21-9-4-3-5-10-21)15-19-13-30(14-19)12-18-7-6-8-20(11-18)25(26,27)28/h3-11,17,19H,12-15H2,1-2H3
InChIKeyVMNVWJDJGITKCB-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.85
Rot. Bonds5

About 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134803013) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134803013
Molecular FormulaC25H25F3N4O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)N(CC1CN(Cc3cccc(C(F)(F)F)c3)C1)C2=O
InChIInChI=1S/C25H25F3N4O/c1-16-22-17(2)31(24(33)23(22)32(29-16)21-9-4-3-5-10-21)15-19-13-30(14-19)12-18-7-6-8-20(11-18)25(26,27)28/h3-11,17,19H,12-15H2,1-2H3
InChIKeyVMNVWJDJGITKCB-UHFFFAOYSA-N
XLogP4.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-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 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134803013) is 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C)N(CC1CN(Cc3cccc(C(F)(F)F)c3)C1)C2=O.
What is the InChIKey of 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is VMNVWJDJGITKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c1-16-22-17(2)31(24(33)23(22)32(29-16)21-9-4-3-5-10-21)15-19-13-30(14-19)12-18-7-6-8-20(11-18)25(26,27)28/h3-11,17,19H,12-15H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 454.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).