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

C23H20N4O5 — CID 97047630

IUPAC6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-c2[nH]c3c(c2[C@@H]2C(=O)Nc4ccccc42)c(=O)[nH]c(=O)n3C)c1
InChIInChI=1S/C23H20N4O5/c1-27-20-18(22(29)26-23(27)30)17(16-12-6-4-5-7-14(12)24-21(16)28)19(25-20)13-10-11(31-2)8-9-15(13)32-3/h4-10,16,25H,1-3H3,(H,24,28)(H,26,29,30)/t16-/m1/s1
InChIKeyRPUCSFLYDDBJRP-MRXNPFEDSA-N
MW432.44 g/mol
LogP2.32
Rot. Bonds4

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

6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 97047630) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID97047630
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-c2[nH]c3c(c2[C@@H]2C(=O)Nc4ccccc42)c(=O)[nH]c(=O)n3C)c1
InChIInChI=1S/C23H20N4O5/c1-27-20-18(22(29)26-23(27)30)17(16-12-6-4-5-7-14(12)24-21(16)28)19(25-20)13-10-11(31-2)8-9-15(13)32-3/h4-10,16,25H,1-3H3,(H,24,28)(H,26,29,30)/t16-/m1/s1
InChIKeyRPUCSFLYDDBJRP-MRXNPFEDSA-N
XLogP2.32
TPSA118.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

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-(2-chlorophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251452
6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047627
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
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
6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251407
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
5-(2,5-dimethoxyphenyl)-1,8,8-trimethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 51045362
3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
CID 132533031
(3R)-3-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]-2-[(5-methylfuran-2-yl)methyl]-3H-isoindol-1-one
CID 41168865

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 97047630) is 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(OC)c(-c2[nH]c3c(c2[C@@H]2C(=O)Nc4ccccc42)c(=O)[nH]c(=O)n3C)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RPUCSFLYDDBJRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-27-20-18(22(29)26-23(27)30)17(16-12-6-4-5-7-14(12)24-21(16)28)19(25-20)13-10-11(31-2)8-9-15(13)32-3/h4-10,16,25H,1-3H3,(H,24,28)(H,26,29,30)/t16-/m1/s1.
What are the key properties of 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 432.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97047630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).