2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol

C25H22N4O4S — CID 162477326

IUPAC2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc4c3CNC4)cc2C1
InChIInChI=1S/C25H22N4O4S/c30-24(21-3-1-2-17-11-26-13-22(17)21)23-10-18-14-29(15-19(18)12-28-23)34(31,32)20-6-4-16(5-7-20)25-27-8-9-33-25/h1-10,12,24,26,30H,11,13-15H2
InChIKeyZPQCAKKOQHOQQY-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.13
Rot. Bonds5

About 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol

2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol (PubChem CID 162477326) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
PubChem CID162477326
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc4c3CNC4)cc2C1
InChIInChI=1S/C25H22N4O4S/c30-24(21-3-1-2-17-11-26-13-22(17)21)23-10-18-14-29(15-19(18)12-28-23)34(31,32)20-6-4-16(5-7-20)25-27-8-9-33-25/h1-10,12,24,26,30H,11,13-15H2
InChIKeyZPQCAKKOQHOQQY-UHFFFAOYSA-N
XLogP3.13
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol 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 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The IUPAC name of 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol (CID 162477326) is 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The canonical SMILES for 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol is O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc4c3CNC4)cc2C1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The InChIKey is ZPQCAKKOQHOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c30-24(21-3-1-2-17-11-26-13-22(17)21)23-10-18-14-29(15-19(18)12-28-23)34(31,32)20-6-4-16(5-7-20)25-27-8-9-33-25/h1-10,12,24,26,30H,11,13-15H2.
What are the key properties of 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol has a molecular weight of 474.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-4-yl-[2-[4-(1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol is sourced from PubChem (CID 162477326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).