4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine

C23H25FN4O — CID 155591380

IUPAC4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine
SMILESCN1Cc2nn(Cc3cccc(N4CCOCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C23H25FN4O/c1-26-15-20-22(16-26)25-28(23(20)19-7-2-3-8-21(19)24)14-17-5-4-6-18(13-17)27-9-11-29-12-10-27/h2-8,13H,9-12,14-16H2,1H3
InChIKeySDHZVXCSBOCIFS-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.52
Rot. Bonds4

About 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine

4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine (PubChem CID 155591380) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine
PubChem CID155591380
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine
SMILESCN1Cc2nn(Cc3cccc(N4CCOCC4)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C23H25FN4O/c1-26-15-20-22(16-26)25-28(23(20)19-7-2-3-8-21(19)24)14-17-5-4-6-18(13-17)27-9-11-29-12-10-27/h2-8,13H,9-12,14-16H2,1H3
InChIKeySDHZVXCSBOCIFS-UHFFFAOYSA-N
XLogP3.52
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine 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 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine (CID 155591380) is 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine is CN1Cc2nn(Cc3cccc(N4CCOCC4)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine?
The InChIKey is SDHZVXCSBOCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-26-15-20-22(16-26)25-28(23(20)19-7-2-3-8-21(19)24)14-17-5-4-6-18(13-17)27-9-11-29-12-10-27/h2-8,13H,9-12,14-16H2,1H3.
What are the key properties of 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine?
4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine has a molecular weight of 392.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 155591380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).