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

C21H16N4O3 — CID 97047605

IUPAC6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H16N4O3/c1-10-6-8-11(9-7-10)17-15(16-18(23-17)24-21(28)25-20(16)27)14-12-4-2-3-5-13(12)22-19(14)26/h2-9,14H,1H3,(H,22,26)(H3,23,24,25,27,28)/t14-/m1/s1
InChIKeyTWTCGWBHFFNOIQ-CQSZACIVSA-N
MW372.38 g/mol
LogP2.60
Rot. Bonds2

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

6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 97047605) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID97047605
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H16N4O3/c1-10-6-8-11(9-7-10)17-15(16-18(23-17)24-21(28)25-20(16)27)14-12-4-2-3-5-13(12)22-19(14)26/h2-9,14H,1H3,(H,22,26)(H3,23,24,25,27,28)/t14-/m1/s1
InChIKeyTWTCGWBHFFNOIQ-CQSZACIVSA-N
XLogP2.60
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047648
6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751574
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
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
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
3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one
CID 132533036
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50813593
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
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 101469284
5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766823
3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one
CID 151228191

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 97047605) is 6-(4-methylphenyl)-5-[(3R)-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-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is TWTCGWBHFFNOIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-10-6-8-11(9-7-10)17-15(16-18(23-17)24-21(28)25-20(16)27)14-12-4-2-3-5-13(12)22-19(14)26/h2-9,14H,1H3,(H,22,26)(H3,23,24,25,27,28)/t14-/m1/s1.
What are the key properties of 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 372.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).