6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione

C32H38N6O2 — CID 10098747

IUPAC6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCN(c4ccccc4)CC3)n1)C(=O)N(CCCCN1CCN(c3ccccc3)CC1)C2=O
InChIInChI=1S/C32H38N6O2/c1-25-24-28-29(30(33-25)37-22-20-36(21-23-37)27-12-6-3-7-13-27)32(40)38(31(28)39)15-9-8-14-34-16-18-35(19-17-34)26-10-4-2-5-11-26/h2-7,10-13,24H,8-9,14-23H2,1H3
InChIKeyIVQXMEPWTUGUTP-UHFFFAOYSA-N
MW538.70 g/mol
LogP3.92
Rot. Bonds8

About 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione

6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 10098747) has the molecular formula C32H38N6O2 and a molecular weight of 538.70 g/mol. Its IUPAC name is 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID10098747
Molecular FormulaC32H38N6O2
Molecular Weight538.70 g/mol
Exact Mass538.31
IUPAC Name6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N3CCN(c4ccccc4)CC3)n1)C(=O)N(CCCCN1CCN(c3ccccc3)CC1)C2=O
InChIInChI=1S/C32H38N6O2/c1-25-24-28-29(30(33-25)37-22-20-36(21-23-37)27-12-6-3-7-13-27)32(40)38(31(28)39)15-9-8-14-34-16-18-35(19-17-34)26-10-4-2-5-11-26/h2-7,10-13,24H,8-9,14-23H2,1H3
InChIKeyIVQXMEPWTUGUTP-UHFFFAOYSA-N
XLogP3.92
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione 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

2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
3,8-dimethyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
CID 18328024
2-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 146444216
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
acetic acid;2-[4-[4-(3-amino-4-chlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 67833361
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-fluoroisoindole-1,3-dione
CID 67885587
4,6-dimethyl-5-pyridin-3-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-1,3-dione
CID 10718752
2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
CID 10251011
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 10098747) is 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione is Cc1cc2c(c(N3CCN(c4ccccc4)CC3)n1)C(=O)N(CCCCN1CCN(c3ccccc3)CC1)C2=O.
What is the InChIKey of 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is IVQXMEPWTUGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O2/c1-25-24-28-29(30(33-25)37-22-20-36(21-23-37)27-12-6-3-7-13-27)32(40)38(31(28)39)15-9-8-14-34-16-18-35(19-17-34)26-10-4-2-5-11-26/h2-7,10-13,24H,8-9,14-23H2,1H3.
What are the key properties of 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione?
6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 538.70 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 10098747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).