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

C23H20N4O4 — CID 98251407

IUPAC6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1[nH]c2c(c1[C@H]1C(=O)N(C)c3ccccc31)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C23H20N4O4/c1-26-14-10-6-4-8-12(14)16(22(26)29)17-18-20(27(2)23(30)25-21(18)28)24-19(17)13-9-5-7-11-15(13)31-3/h4-11,16,24H,1-3H3,(H,25,28,30)/t16-/m0/s1
InChIKeyFGRWGRHMIACNTM-INIZCTEOSA-N
MW416.44 g/mol
LogP2.34
Rot. Bonds3

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

6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 98251407) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID98251407
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1[nH]c2c(c1[C@H]1C(=O)N(C)c3ccccc31)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C23H20N4O4/c1-26-14-10-6-4-8-12(14)16(22(26)29)17-18-20(27(2)23(30)25-21(18)28)24-19(17)13-9-5-7-11-15(13)31-3/h4-11,16,24H,1-3H3,(H,25,28,30)/t16-/m0/s1
InChIKeyFGRWGRHMIACNTM-INIZCTEOSA-N
XLogP2.34
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-(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-(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
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231
4-(2-methoxyphenyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 105456048
5-methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazolidin-2-one
CID 57071510
6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751574
4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
CID 105457104
1-methoxy-10-methyl-9-naphthalen-1-yl-9H-acridine
CID 154630868
1-methoxy-10-methyl-9-(2,4,6-trimethylphenyl)-9H-acridine
CID 154630856

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 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) is 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-c1[nH]c2c(c1[C@H]1C(=O)N(C)c3ccccc31)c(=O)[nH]c(=O)n2C.
What is the InChIKey of 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FGRWGRHMIACNTM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-14-10-6-4-8-12(14)16(22(26)29)17-18-20(27(2)23(30)25-21(18)28)24-19(17)13-9-5-7-11-15(13)31-3/h4-11,16,24H,1-3H3,(H,25,28,30)/t16-/m0/s1.
What are the key properties of 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 416.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 98251407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).