(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C20H23FN4O3 — CID 93134344

IUPAC(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C20H23FN4O3/c1-2-25-15-11-24(12-16(26)23-9-3-4-10-23)19(27)17(15)18(22-20(25)28)13-5-7-14(21)8-6-13/h5-8,18H,2-4,9-12H2,1H3,(H,22,28)/t18-/m0/s1
InChIKeyOGWCRLABGWBBNA-SFHVURJKSA-N
MW386.43 g/mol
LogP1.63
Rot. Bonds4

About (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 93134344) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID93134344
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C20H23FN4O3/c1-2-25-15-11-24(12-16(26)23-9-3-4-10-23)19(27)17(15)18(22-20(25)28)13-5-7-14(21)8-6-13/h5-8,18H,2-4,9-12H2,1H3,(H,22,28)/t18-/m0/s1
InChIKeyOGWCRLABGWBBNA-SFHVURJKSA-N
XLogP1.63
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4S)-6-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004481
(4R)-4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004484
4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46075524
(4R)-4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004476
(4S)-1-ethyl-6-(2-morpholin-4-yl-2-oxoethyl)-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93134939
(4R)-6-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-4-(2,4-dichlorophenyl)-1-ethyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004968
ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate
CID 93134976
4-(2-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42818680
1-methyl-4-(4-methylphenyl)-6-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46075500
(4R)-1-methyl-6-(2-oxo-2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004490
1-ethyl-4-(4-methylphenyl)-6-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42818719
N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 93134371

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 93134344) is (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CC(=O)N1CCCC1)C2=O.
What is the InChIKey of (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is OGWCRLABGWBBNA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-2-25-15-11-24(12-16(26)23-9-3-4-10-23)19(27)17(15)18(22-20(25)28)13-5-7-14(21)8-6-13/h5-8,18H,2-4,9-12H2,1H3,(H,22,28)/t18-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 386.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-(4-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 93134344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).