6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C52H36N6O8 — CID 100925756

IUPAC6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCOc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6nc(-c7ccc(OC)cc7)c(-c7ccc(OC)cc7)nc6C5=O)cc4)cc2)C3=O)cc1
InChIInChI=1S/C52H36N6O8/c1-63-37-21-9-31(10-22-37)41-42(32-11-23-38(64-2)24-12-32)54-46-45(53-41)49(59)57(50(46)60)35-17-5-29(6-18-35)30-7-19-36(20-8-30)58-51(61)47-48(52(58)62)56-44(34-15-27-40(66-4)28-16-34)43(55-47)33-13-25-39(65-3)26-14-33/h5-28H,1-4H3
InChIKeyPOQHICUQELHAJY-UHFFFAOYSA-N
MW872.89 g/mol
LogP9.24
Rot. Bonds11

About 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 100925756) has the molecular formula C52H36N6O8 and a molecular weight of 872.89 g/mol. Its IUPAC name is 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID100925756
Molecular FormulaC52H36N6O8
Molecular Weight872.89 g/mol
Exact Mass872.26
IUPAC Name6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCOc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6nc(-c7ccc(OC)cc7)c(-c7ccc(OC)cc7)nc6C5=O)cc4)cc2)C3=O)cc1
InChIInChI=1S/C52H36N6O8/c1-63-37-21-9-31(10-22-37)41-42(32-11-23-38(64-2)24-12-32)54-46-45(53-41)49(59)57(50(46)60)35-17-5-29(6-18-35)30-7-19-36(20-8-30)58-51(61)47-48(52(58)62)56-44(34-15-27-40(66-4)28-16-34)43(55-47)33-13-25-39(65-3)26-14-33/h5-28H,1-4H3
InChIKeyPOQHICUQELHAJY-UHFFFAOYSA-N
XLogP9.24
TPSA163.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.89
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-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-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 132542480
6-methoxy-2-phenylpyrrolo[3,4-b]quinoxaline-1,3-dione
CID 15417894
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
5-acetyl-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 21024691
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
3-chloro-4-(4-methoxyphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110583148
N-[4-[3-hydroxy-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110580988
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 100925756) is 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6nc(-c7ccc(OC)cc7)c(-c7ccc(OC)cc7)nc6C5=O)cc4)cc2)C3=O)cc1.
What is the InChIKey of 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is POQHICUQELHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O8/c1-63-37-21-9-31(10-22-37)41-42(32-11-23-38(64-2)24-12-32)54-46-45(53-41)49(59)57(50(46)60)35-17-5-29(6-18-35)30-7-19-36(20-8-30)58-51(61)47-48(52(58)62)56-44(34-15-27-40(66-4)28-16-34)43(55-47)33-13-25-39(65-3)26-14-33/h5-28H,1-4H3.
What are the key properties of 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 872.89 g/mol, XLogP of 9.24, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2,3-bis(4-methoxyphenyl)-5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl]phenyl]phenyl]-2,3-bis(4-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 100925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).