4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide

C24H26N6O5S — CID 155510408

IUPAC4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(CCOc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H26N6O5S/c25-36(32,33)19-8-6-17(7-9-19)26-22-20-16-30(12-15-35-18-4-2-1-3-5-18)23(31)21(20)27-24(28-22)29-10-13-34-14-11-29/h1-9H,10-16H2,(H2,25,32,33)(H,26,27,28)
InChIKeyFCNZRLKHXFAHKY-UHFFFAOYSA-N
MW510.58 g/mol
LogP1.74
Rot. Bonds8

About 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide

4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 155510408) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID155510408
Molecular FormulaC24H26N6O5S
Molecular Weight510.58 g/mol
Exact Mass510.17
IUPAC Name4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(CCOc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H26N6O5S/c25-36(32,33)19-8-6-17(7-9-19)26-22-20-16-30(12-15-35-18-4-2-1-3-5-18)23(31)21(20)27-24(28-22)29-10-13-34-14-11-29/h1-9H,10-16H2,(H2,25,32,33)(H,26,27,28)
InChIKeyFCNZRLKHXFAHKY-UHFFFAOYSA-N
XLogP1.74
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide 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 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide (CID 155510408) is 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(CCOc2ccccc2)C3=O)cc1.
What is the InChIKey of 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is FCNZRLKHXFAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c25-36(32,33)19-8-6-17(7-9-19)26-22-20-16-30(12-15-35-18-4-2-1-3-5-18)23(31)21(20)27-24(28-22)29-10-13-34-14-11-29/h1-9H,10-16H2,(H2,25,32,33)(H,26,27,28).
What are the key properties of 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide?
4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 510.58 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-morpholin-4-yl-7-oxo-6-(2-phenoxyethyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 155510408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).