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

C14H20N4O4S — CID 94811343

IUPACmethyl (2R)-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-/m1/s1
InChIKeyYFMYHNNOKYXNTA-SECBINFHSA-N
MW340.41 g/mol
LogP0.71
Rot. Bonds5

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

methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 94811343) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID94811343
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Namemethyl (2R)-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-/m1/s1
InChIKeyYFMYHNNOKYXNTA-SECBINFHSA-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 (2R)-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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate (CID 94811343) is methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-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 (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is YFMYHNNOKYXNTA-SECBINFHSA-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-/m1/s1.
What are the key properties of methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate?
methyl (2R)-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 (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 94811343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).