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

C23H20N4O4 — CID 97047627

IUPAC6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1[nH]c2c(c1[C@@H]1C(=O)Nc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-12-8-4-6-10-14(12)24-21(16)28)19(25-20)13-9-5-7-11-15(13)31-3/h4-11,16,25H,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyLIOGEACGNYQHSP-MRXNPFEDSA-N
MW416.44 g/mol
LogP2.32
Rot. Bonds3

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

6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 97047627) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID97047627
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1[nH]c2c(c1[C@@H]1C(=O)Nc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-12-8-4-6-10-14(12)24-21(16)28)19(25-20)13-9-5-7-11-15(13)31-3/h4-11,16,25H,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyLIOGEACGNYQHSP-MRXNPFEDSA-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

Analyze 6-(2-methoxyphenyl)-1,3-dimethyl-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-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751517
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
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
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-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251407
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-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
CID 132533031
methyl 2-methyl-4-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377503
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 1129293

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 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) is 6-(2-methoxyphenyl)-1,3-dimethyl-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-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-c1[nH]c2c(c1[C@@H]1C(=O)Nc3ccccc31)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LIOGEACGNYQHSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-20-18(22(29)27(2)23(26)30)17(16-12-8-4-6-10-14(12)24-21(16)28)19(25-20)13-9-5-7-11-15(13)31-3/h4-11,16,25H,1-3H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-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-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97047627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).