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

C23H20N4O4 — CID 50751517

IUPAC6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-14-9-4-5-10-15(14)24-21(16)28)19(25-20)12-7-6-8-13(11-12)31-3/h4-11,16,25H,1-3H3,(H,24,28)
InChIKeySOJRGGYOZJLMCS-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.32
Rot. Bonds3

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

6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 50751517) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID50751517
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-14-9-4-5-10-15(14)24-21(16)28)19(25-20)12-7-6-8-13(11-12)31-3/h4-11,16,25H,1-3H3,(H,24,28)
InChIKeySOJRGGYOZJLMCS-UHFFFAOYSA-N
XLogP2.32
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 50751517) is 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1cccc(-c2[nH]c3c(c2C2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SOJRGGYOZJLMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-14-9-4-5-10-15(14)24-21(16)28)19(25-20)12-7-6-8-13(11-12)31-3/h4-11,16,25H,1-3H3,(H,24,28).
What are the key properties of 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 416.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50751517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).