methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate

C14H20N4O4S — CID 94811344

IUPACmethyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-9(14(19)22-5)8-17(3)23(20,21)11-6-12-10(2)16-18(4)13(12)15-7-11/h6-7,9H,8H2,1-5H3/t9-/m0/s1
InChIKeyYFMYHNNOKYXNTA-VIFPVBQESA-N
MW340.41 g/mol
LogP0.71
Rot. Bonds5

About methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate

methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 94811344) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID94811344
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Namemethyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-9(14(19)22-5)8-17(3)23(20,21)11-6-12-10(2)16-18(4)13(12)15-7-11/h6-7,9H,8H2,1-5H3/t9-/m0/s1
InChIKeyYFMYHNNOKYXNTA-VIFPVBQESA-N
XLogP0.71
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate 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

methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811343
N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
CID 51103261
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
CID 51103264
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 119960338
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119960337
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140349
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
methyl 3-[(4-carbamoylphenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61059514
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 86780661

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate (CID 94811344) is methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate is COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is YFMYHNNOKYXNTA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9(14(19)22-5)8-17(3)23(20,21)11-6-12-10(2)16-18(4)13(12)15-7-11/h6-7,9H,8H2,1-5H3/t9-/m0/s1.
What are the key properties of methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate has a molecular weight of 340.41 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 94811344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).