1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione

C51H62N10O6 — CID 22645685

IUPAC1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCNCC4CC(=O)C4CCNC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCNCC2CC(=O)C2CCNC2)C1=O
InChIInChI=1S/C51H62N10O6/c1-58-48(64)44(46(50(58)66)60-22-20-54-28-32(60)24-40(62)30-16-18-52-26-30)42-34-10-6-8-12-36(34)56-38(42)14-4-3-5-15-39-43(35-11-7-9-13-37(35)57-39)45-47(51(67)59(2)49(45)65)61-23-21-55-29-33(61)25-41(63)31-17-19-53-27-31/h6-13,30-33,52-57H,3-5,14-29H2,1-2H3
InChIKeyRPBYILWJDKPQJT-UHFFFAOYSA-N
MW911.12 g/mol
LogP2.71
Rot. Bonds16

About 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione

1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione (PubChem CID 22645685) has the molecular formula C51H62N10O6 and a molecular weight of 911.12 g/mol. Its IUPAC name is 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione
PubChem CID22645685
Molecular FormulaC51H62N10O6
Molecular Weight911.12 g/mol
Exact Mass910.49
IUPAC Name1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCNCC4CC(=O)C4CCNC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCNCC2CC(=O)C2CCNC2)C1=O
InChIInChI=1S/C51H62N10O6/c1-58-48(64)44(46(50(58)66)60-22-20-54-28-32(60)24-40(62)30-16-18-52-26-30)42-34-10-6-8-12-36(34)56-38(42)14-4-3-5-15-39-43(35-11-7-9-13-37(35)57-39)45-47(51(67)59(2)49(45)65)61-23-21-55-29-33(61)25-41(63)31-17-19-53-27-31/h6-13,30-33,52-57H,3-5,14-29H2,1-2H3
InChIKeyRPBYILWJDKPQJT-UHFFFAOYSA-N
XLogP2.71
TPSA195.08 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.12
LogP ≤ 52.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione (CID 22645685) is 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione is CN1C(=O)C(c2c(CCCCCc3[nH]c4ccccc4c3C3=C(N4CCNCC4CC(=O)C4CCNC4)C(=O)N(C)C3=O)[nH]c3ccccc23)=C(N2CCNCC2CC(=O)C2CCNC2)C1=O.
What is the InChIKey of 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione?
The InChIKey is RPBYILWJDKPQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H62N10O6/c1-58-48(64)44(46(50(58)66)60-22-20-54-28-32(60)24-40(62)30-16-18-52-26-30)42-34-10-6-8-12-36(34)56-38(42)14-4-3-5-15-39-43(35-11-7-9-13-37(35)57-39)45-47(51(67)59(2)49(45)65)61-23-21-55-29-33(61)25-41(63)31-17-19-53-27-31/h6-13,30-33,52-57H,3-5,14-29H2,1-2H3.
What are the key properties of 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione?
1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione has a molecular weight of 911.12 g/mol, XLogP of 2.71, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(2-oxo-2-pyrrolidin-3-ylethyl)piperazin-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22645685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).