methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate

C24H24N2O5 — CID 93232877

IUPACmethyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C24H24N2O5/c1-12-6-8-16-15(10-12)20(23(27)26-16)21-19(24(28)31-5)13(2)25-22(21)14-7-9-17(29-3)18(11-14)30-4/h6-11,20,25H,1-5H3,(H,26,27)/t20-/m0/s1
InChIKeyIPCGRNXPDJYXMJ-FQEVSTJZSA-N
MW420.47 g/mol
LogP4.19
Rot. Bonds5

About methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate

methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate (PubChem CID 93232877) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
PubChem CID93232877
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namemethyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C24H24N2O5/c1-12-6-8-16-15(10-12)20(23(27)26-16)21-19(24(28)31-5)13(2)25-22(21)14-7-9-17(29-3)18(11-14)30-4/h6-11,20,25H,1-5H3,(H,26,27)/t20-/m0/s1
InChIKeyIPCGRNXPDJYXMJ-FQEVSTJZSA-N
XLogP4.19
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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 2-methyl-4-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377503
methyl 5-(furan-2-yl)-2-methyl-4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1H-pyrrole-3-carboxylate
CID 42654162
methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39351546
methyl 4-[(3S)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-2-methyl-5-thiophen-2-yl-1H-pyrrole-3-carboxylate
CID 92859220
methyl 4-[(3S)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylate
CID 98139924
dimethyl 4-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102489606
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 101469284
methyl 4-[(3R)-7-chloro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39339581

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate (CID 93232877) is methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccc(C)cc21.
What is the InChIKey of methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate?
The InChIKey is IPCGRNXPDJYXMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-12-6-8-16-15(10-12)20(23(27)26-16)21-19(24(28)31-5)13(2)25-22(21)14-7-9-17(29-3)18(11-14)30-4/h6-11,20,25H,1-5H3,(H,26,27)/t20-/m0/s1.
What are the key properties of methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate?
methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxyphenyl)-2-methyl-4-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 93232877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).