methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate

C14H20N4O4S — CID 51103264

IUPACmethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-5-6-18(9-13(19)22-4)23(20,21)11-7-12-10(2)16-17(3)14(12)15-8-11/h7-8H,5-6,9H2,1-4H3
InChIKeyFZSQGLBOZIODLL-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.85
Rot. Bonds6

About methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate

methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate (PubChem CID 51103264) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
PubChem CID51103264
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Namemethyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-5-6-18(9-13(19)22-4)23(20,21)11-7-12-10(2)16-17(3)14(12)15-8-11/h7-8H,5-6,9H2,1-4H3
InChIKeyFZSQGLBOZIODLL-UHFFFAOYSA-N
XLogP0.85
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811343
methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811344
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
CID 61409505
N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
CID 51103261
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 120895644
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120895643
methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
methyl 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-propylamino]acetate
CID 106467198
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
methyl 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-propylamino]acetate
CID 115421337
methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate (CID 51103264) is methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate?
The InChIKey is FZSQGLBOZIODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-5-6-18(9-13(19)22-4)23(20,21)11-7-12-10(2)16-17(3)14(12)15-8-11/h7-8H,5-6,9H2,1-4H3.
What are the key properties of methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate?
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate has a molecular weight of 340.41 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 51103264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).