(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid

C14H16N4O6S — CID 136713831

IUPAC(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc([C@@H]2CC(=O)Nc3n[nH]c(C(=O)O)c32)o1)S(C)(=O)=O
InChIInChI=1S/C14H16N4O6S/c1-18(25(2,22)23)6-7-3-4-9(24-7)8-5-10(19)15-13-11(8)12(14(20)21)16-17-13/h3-4,8H,5-6H2,1-2H3,(H,20,21)(H2,15,16,17,19)/t8-/m0/s1
InChIKeyGFEBOLKZIRBBNU-QMMMGPOBSA-N
MW368.37 g/mol
LogP0.57
Rot. Bonds5

About (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid

(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 136713831) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID136713831
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc([C@@H]2CC(=O)Nc3n[nH]c(C(=O)O)c32)o1)S(C)(=O)=O
InChIInChI=1S/C14H16N4O6S/c1-18(25(2,22)23)6-7-3-4-9(24-7)8-5-10(19)15-13-11(8)12(14(20)21)16-17-13/h3-4,8H,5-6H2,1-2H3,(H,20,21)(H2,15,16,17,19)/t8-/m0/s1
InChIKeyGFEBOLKZIRBBNU-QMMMGPOBSA-N
XLogP0.57
TPSA145.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid 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

N-[[5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95134899
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
CID 61455218
N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide
CID 95403122
(5R)-4-amino-5-(5-ethylfuran-2-yl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 95125377
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137273151
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136737606
formic acid;methyl 4-(4-morpholin-4-ylphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylate
CID 171340043
N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 133129408
[(E)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]urea
CID 133225233
N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95710542

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 136713831) is (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid is CN(Cc1ccc([C@@H]2CC(=O)Nc3n[nH]c(C(=O)O)c32)o1)S(C)(=O)=O.
What is the InChIKey of (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is GFEBOLKZIRBBNU-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-18(25(2,22)23)6-7-3-4-9(24-7)8-5-10(19)15-13-11(8)12(14(20)21)16-17-13/h3-4,8H,5-6H2,1-2H3,(H,20,21)(H2,15,16,17,19)/t8-/m0/s1.
What are the key properties of (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid?
(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 136713831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).