(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C23H19F4N3O2 — CID 93115599

IUPAC(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESC=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C23H19F4N3O2/c1-2-11-30-18-13-29(12-14-3-9-17(24)10-4-14)21(31)19(18)20(28-22(30)32)15-5-7-16(8-6-15)23(25,26)27/h2-10,20H,1,11-13H2,(H,28,32)/t20-/m1/s1
InChIKeyPIMNEUGFRFBHJO-HXUWFJFHSA-N
MW445.42 g/mol
LogP4.39
Rot. Bonds5

About (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 93115599) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID93115599
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Name(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESC=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C23H19F4N3O2/c1-2-11-30-18-13-29(12-14-3-9-17(24)10-4-14)21(31)19(18)20(28-22(30)32)15-5-7-16(8-6-15)23(25,26)27/h2-10,20H,1,11-13H2,(H,28,32)/t20-/m1/s1
InChIKeyPIMNEUGFRFBHJO-HXUWFJFHSA-N
XLogP4.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-benzyl-4-(4-fluorophenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7201662
(4S)-6-[(4-fluorophenyl)methyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93115602
(4S)-4-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93115659
6-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4604039
6-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 45498002
2-[(4R)-4-(4-fluorophenyl)-2,5-dioxo-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93129007
4-(4-methoxyphenyl)-1-prop-2-enyl-6-(pyridin-2-ylmethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3589147
6-(2-methylpropyl)-4-phenyl-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 24712350
(4R)-4-(3-phenylmethoxyphenyl)-1-prop-2-enyl-6-(pyridin-4-ylmethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93115621
(4R)-6-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dimethoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93115656
(4R)-1-methyl-6-(pyridin-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202192
(4S)-4-(3,5-dimethoxyphenyl)-1,6-bis(prop-2-enyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7201650

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 93115599) is (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is PIMNEUGFRFBHJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c1-2-11-30-18-13-29(12-14-3-9-17(24)10-4-14)21(31)19(18)20(28-22(30)32)15-5-7-16(8-6-15)23(25,26)27/h2-10,20H,1,11-13H2,(H,28,32)/t20-/m1/s1.
What are the key properties of (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 445.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(4-fluorophenyl)methyl]-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 93115599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).