(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

C11H16N4O2S — CID 136698010

IUPAC(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1[C@@H](CCSC)CC(=O)N2
InChIInChI=1S/C11H16N4O2S/c1-12-11(17)9-8-6(3-4-18-2)5-7(16)13-10(8)15-14-9/h6H,3-5H2,1-2H3,(H,12,17)(H2,13,14,15,16)/t6-/m0/s1
InChIKeyGOXXLOSFWBHLHL-LURJTMIESA-N
MW268.34 g/mol
LogP0.95
Rot. Bonds4

About (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 136698010) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID136698010
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1[C@@H](CCSC)CC(=O)N2
InChIInChI=1S/C11H16N4O2S/c1-12-11(17)9-8-6(3-4-18-2)5-7(16)13-10(8)15-14-9/h6H,3-5H2,1-2H3,(H,12,17)(H2,13,14,15,16)/t6-/m0/s1
InChIKeyGOXXLOSFWBHLHL-LURJTMIESA-N
XLogP0.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-methyl-6-oxo-4-(2-phenylethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136907585
(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
N-methyl-4-(2-methylpyrimidin-5-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421239
N-methyl-6-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421888
(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136820793
4-(2-chloro-5-ethoxy-4-methoxyphenyl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 171907744
(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95132095
methyl (4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylate
CID 136713812
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
CID 63966409
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
4-(3,4-dimethylbenzoyl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135986505
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (CID 136698010) is (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is CNC(=O)c1[nH]nc2c1[C@@H](CCSC)CC(=O)N2.
What is the InChIKey of (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is GOXXLOSFWBHLHL-LURJTMIESA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-12-11(17)9-8-6(3-4-18-2)5-7(16)13-10(8)15-14-9/h6H,3-5H2,1-2H3,(H,12,17)(H2,13,14,15,16)/t6-/m0/s1.
What are the key properties of (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 136698010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).