N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide

C16H20N6O3S — CID 135516876

IUPACN-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C16H20N6O3S/c23-26(24,19-4-5-22-6-8-25-9-7-22)12-10-14(18-11-12)15-13-2-1-3-17-16(13)21-20-15/h1-3,10-11,18-19H,4-9H2,(H,17,20,21)
InChIKeyMGAMWZIXWVWEAE-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.56
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide

N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 135516876) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide
PubChem CID135516876
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1c[nH]c(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C16H20N6O3S/c23-26(24,19-4-5-22-6-8-25-9-7-22)12-10-14(18-11-12)15-13-2-1-3-17-16(13)21-20-15/h1-3,10-11,18-19H,4-9H2,(H,17,20,21)
InChIKeyMGAMWZIXWVWEAE-UHFFFAOYSA-N
XLogP0.56
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide 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-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 155512356
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43348231
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide (CID 135516876) is N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide is O=S(=O)(NCCN1CCOCC1)c1c[nH]c(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MGAMWZIXWVWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c23-26(24,19-4-5-22-6-8-25-9-7-22)12-10-14(18-11-12)15-13-2-1-3-17-16(13)21-20-15/h1-3,10-11,18-19H,4-9H2,(H,17,20,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide?
N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 135516876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).