dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate

C30H26N2O5 — CID 102489606

IUPACdimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
SMILESCOC(=O)c1c(C2C(=O)Nc3ccc(C)cc32)c(-c2ccccc2)n(-c2ccc(C)cc2)c1C(=O)OC
InChIInChI=1S/C30H26N2O5/c1-17-10-13-20(14-11-17)32-26(19-8-6-5-7-9-19)24(25(29(34)36-3)27(32)30(35)37-4)23-21-16-18(2)12-15-22(21)31-28(23)33/h5-16,23H,1-4H3,(H,31,33)
InChIKeyIBCVKIVGQLHRGV-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.42
Rot. Bonds5

About dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate

dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate (PubChem CID 102489606) has the molecular formula C30H26N2O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
PubChem CID102489606
Molecular FormulaC30H26N2O5
Molecular Weight494.55 g/mol
Exact Mass494.18
IUPAC Namedimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
SMILESCOC(=O)c1c(C2C(=O)Nc3ccc(C)cc32)c(-c2ccccc2)n(-c2ccc(C)cc2)c1C(=O)OC
InChIInChI=1S/C30H26N2O5/c1-17-10-13-20(14-11-17)32-26(19-8-6-5-7-9-19)24(25(29(34)36-3)27(32)30(35)37-4)23-21-16-18(2)12-15-22(21)31-28(23)33/h5-16,23H,1-4H3,(H,31,33)
InChIKeyIBCVKIVGQLHRGV-UHFFFAOYSA-N
XLogP5.42
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102138310
methyl 5-(4-methoxyphenyl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42655394
methyl 5-(3-methoxyphenyl)-2-methyl-4-[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
CID 51720209
dimethyl 1-(3-methylphenyl)-4,5-diphenylpyrrole-2,3-dicarboxylate
CID 122397153
methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
CID 93232877
methyl 2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-5-thiophen-3-yl-1H-pyrrole-3-carboxylate
CID 93232872
methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42654162
methyl 2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377870
dimethyl 5-heptyl-1-(4-methylphenyl)-4-phenylpyrrole-2,3-dicarboxylate
CID 102104209
ethyl 2-methyl-1-naphthalen-2-yl-5-phenyl-4-(2,4,6-trioxo-1,3-diazinan-5-yl)pyrrole-3-carboxylate
CID 169409756
methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39351546
methyl 2-methyl-4-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377503

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate (CID 102489606) is dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate is COC(=O)c1c(C2C(=O)Nc3ccc(C)cc32)c(-c2ccccc2)n(-c2ccc(C)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate?
The InChIKey is IBCVKIVGQLHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5/c1-17-10-13-20(14-11-17)32-26(19-8-6-5-7-9-19)24(25(29(34)36-3)27(32)30(35)37-4)23-21-16-18(2)12-15-22(21)31-28(23)33/h5-16,23H,1-4H3,(H,31,33).
What are the key properties of dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate?
dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate has a molecular weight of 494.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate is sourced from PubChem (CID 102489606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).