6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

C20H13FN4O3 — CID 97047648

IUPAC6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESO=C1Nc2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C20H13FN4O3/c21-10-7-5-9(6-8-10)16-14(15-17(23-16)24-20(28)25-19(15)27)13-11-3-1-2-4-12(11)22-18(13)26/h1-8,13H,(H,22,26)(H3,23,24,25,27,28)/t13-/m0/s1
InChIKeyQAPLBFFSXFPHLO-ZDUSSCGKSA-N
MW376.35 g/mol
LogP2.43
Rot. Bonds2

About 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 97047648) has the molecular formula C20H13FN4O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID97047648
Molecular FormulaC20H13FN4O3
Molecular Weight376.35 g/mol
Exact Mass376.10
IUPAC Name6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESO=C1Nc2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C20H13FN4O3/c21-10-7-5-9(6-8-10)16-14(15-17(23-16)24-20(28)25-19(15)27)13-11-3-1-2-4-12(11)22-18(13)26/h1-8,13H,(H,22,26)(H3,23,24,25,27,28)/t13-/m0/s1
InChIKeyQAPLBFFSXFPHLO-ZDUSSCGKSA-N
XLogP2.43
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047605
6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751574
6-(4-bromophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251388
6-(4-bromophenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047619
3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one
CID 132533036
1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-6-(4-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047647
1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751409
3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one
CID 132533038
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751
6-(2-chlorophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251452
5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766823
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 101469284

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 97047648) is 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is O=C1Nc2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QAPLBFFSXFPHLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H13FN4O3/c21-10-7-5-9(6-8-10)16-14(15-17(23-16)24-20(28)25-19(15)27)13-11-3-1-2-4-12(11)22-18(13)26/h1-8,13H,(H,22,26)(H3,23,24,25,27,28)/t13-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 376.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97047648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).