1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

C39H42N6O4 — CID 10675838

IUPAC1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCCC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCCC2)C1=O
InChIInChI=1S/C39H42N6O4/c1-42-36(46)32(34(38(42)48)44-20-10-11-21-44)30-24-14-6-8-16-26(24)40-28(30)18-4-3-5-19-29-31(25-15-7-9-17-27(25)41-29)33-35(45-22-12-13-23-45)39(49)43(2)37(33)47/h6-9,14-17,40-41H,3-5,10-13,18-23H2,1-2H3
InChIKeyIORJXRIZTCQDKP-UHFFFAOYSA-N
MW658.80 g/mol
LogP5.22
Rot. Bonds10

About 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 10675838) has the molecular formula C39H42N6O4 and a molecular weight of 658.80 g/mol. Its IUPAC name is 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID10675838
Molecular FormulaC39H42N6O4
Molecular Weight658.80 g/mol
Exact Mass658.33
IUPAC Name1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCCC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCCC2)C1=O
InChIInChI=1S/C39H42N6O4/c1-42-36(46)32(34(38(42)48)44-20-10-11-21-44)30-24-14-6-8-16-26(24)40-28(30)18-4-3-5-19-29-31(25-15-7-9-17-27(25)41-29)33-35(45-22-12-13-23-45)39(49)43(2)37(33)47/h6-9,14-17,40-41H,3-5,10-13,18-23H2,1-2H3
InChIKeyIORJXRIZTCQDKP-UHFFFAOYSA-N
XLogP5.22
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 10675838) is 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is CN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCCC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCCC2)C1=O.
What is the InChIKey of 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is IORJXRIZTCQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N6O4/c1-42-36(46)32(34(38(42)48)44-20-10-11-21-44)30-24-14-6-8-16-26(24)40-28(30)18-4-3-5-19-29-31(25-15-7-9-17-27(25)41-29)33-35(45-22-12-13-23-45)39(49)43(2)37(33)47/h6-9,14-17,40-41H,3-5,10-13,18-23H2,1-2H3.
What are the key properties of 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 658.80 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[5-[3-(1-methyl-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 10675838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).