About 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801171) has the molecular formula C28H29F3N4O2
and a molecular weight of 510.56 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
Molecular Properties
| Compound Name | 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one |
|---|
| PubChem CID | 134801171 |
|---|
| Molecular Formula | C28H29F3N4O2 |
|---|
| Molecular Weight | 510.56 g/mol |
|---|
| Exact Mass | 510.22 |
|---|
| IUPAC Name | 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one |
|---|
| SMILES | Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(Cc3ccc(OC(F)(F)F)cc3)CC1)C2=O |
|---|
| InChI | InChI=1S/C28H29F3N4O2/c1-18-24-25(20-9-10-20)34(27(36)26(24)35(32-18)22-5-3-2-4-6-22)21-13-15-33(16-14-21)17-19-7-11-23(12-8-19)37-28(29,30)31/h2-8,11-12,20-21,25H,9-10,13-17H2,1H3 |
|---|
| InChIKey | VSNOUXGWTYUILS-UHFFFAOYSA-N |
|---|
| XLogP | 5.65 |
|---|
| TPSA | 50.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 510.56 |
| LogP ≤ 5 | 5.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-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 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801171) is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(Cc3ccc(OC(F)(F)F)cc3)CC1)C2=O.
What is the InChIKey of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is VSNOUXGWTYUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-18-24-25(20-9-10-20)34(27(36)26(24)35(32-18)22-5-3-2-4-6-22)21-13-15-33(16-14-21)17-19-7-11-23(12-8-19)37-28(29,30)31/h2-8,11-12,20-21,25H,9-10,13-17H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 510.56 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).