methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate

C14H20N4O4S — CID 51107343

IUPACmethyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-5-18(7-6-13(19)22-4)23(20,21)11-8-12-10(2)16-17(3)14(12)15-9-11/h8-9H,5-7H2,1-4H3
InChIKeyNVUNGXOUPYZEKH-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.85
Rot. Bonds6

About methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate

methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate (PubChem CID 51107343) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate
PubChem CID51107343
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Namemethyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H20N4O4S/c1-5-18(7-6-13(19)22-4)23(20,21)11-8-12-10(2)16-17(3)14(12)15-9-11/h8-9H,5-7H2,1-4H3
InChIKeyNVUNGXOUPYZEKH-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate (CID 51107343) is methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate?
The InChIKey is NVUNGXOUPYZEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-5-18(7-6-13(19)22-4)23(20,21)11-8-12-10(2)16-17(3)14(12)15-9-11/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate?
methyl 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate 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 3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]propanoate is sourced from PubChem (CID 51107343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).