5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C22H26FN5O3 — CID 46385168

IUPAC5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c2c(=O)n(C)c(=O)n(C)c2n1C
InChIInChI=1S/C22H26FN5O3/c1-14-15(19-20(24(14)2)25(3)22(31)26(4)21(19)30)13-18(29)28-11-9-27(10-12-28)17-8-6-5-7-16(17)23/h5-8H,9-13H2,1-4H3
InChIKeyDFSQWPINRQDGHP-UHFFFAOYSA-N
MW427.48 g/mol
LogP0.91
Rot. Bonds3

About 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione

5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 46385168) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID46385168
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c2c(=O)n(C)c(=O)n(C)c2n1C
InChIInChI=1S/C22H26FN5O3/c1-14-15(19-20(24(14)2)25(3)22(31)26(4)21(19)30)13-18(29)28-11-9-27(10-12-28)17-8-6-5-7-16(17)23/h5-8H,9-13H2,1-4H3
InChIKeyDFSQWPINRQDGHP-UHFFFAOYSA-N
XLogP0.91
TPSA72.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethyl-5,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,6-trione
CID 98220214
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
7-butyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175991
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
2-(2-chloro-6-fluorophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766383
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175972
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 38765548
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 46385168) is 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c2c(=O)n(C)c(=O)n(C)c2n1C.
What is the InChIKey of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DFSQWPINRQDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-14-15(19-20(24(14)2)25(3)22(31)26(4)21(19)30)13-18(29)28-11-9-27(10-12-28)17-8-6-5-7-16(17)23/h5-8H,9-13H2,1-4H3.
What are the key properties of 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 427.48 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,6,7-tetramethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46385168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).