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

C23H20N4O3 — CID 50751409

IUPAC1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19-17(16-14-6-4-5-7-15(14)24-21(16)28)18-20(25-19)26(2)23(30)27(3)22(18)29/h4-11,16,25H,1-3H3,(H,24,28)
InChIKeyNBGIFZTTWKUGJM-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.62
Rot. Bonds2

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

1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 50751409) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID50751409
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19-17(16-14-6-4-5-7-15(14)24-21(16)28)18-20(25-19)26(2)23(30)27(3)22(18)29/h4-11,16,25H,1-3H3,(H,24,28)
InChIKeyNBGIFZTTWKUGJM-UHFFFAOYSA-N
XLogP2.62
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 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) is 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1ccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NBGIFZTTWKUGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-8-10-13(11-9-12)19-17(16-14-6-4-5-7-15(14)24-21(16)28)18-20(25-19)26(2)23(30)27(3)22(18)29/h4-11,16,25H,1-3H3,(H,24,28).
What are the key properties of 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 400.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50751409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).