2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide

C14H21N5O3S — CID 51103263

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H21N5O3S/c1-6-19(9-13(20)17(3)4)23(21,22)11-7-12-10(2)16-18(5)14(12)15-8-11/h7-8H,6,9H2,1-5H3
InChIKeyUGQLZWSRVLOGQY-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.38
Rot. Bonds5

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 51103263) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide
PubChem CID51103263
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H21N5O3S/c1-6-19(9-13(20)17(3)4)23(21,22)11-7-12-10(2)16-18(5)14(12)15-8-11/h7-8H,6,9H2,1-5H3
InChIKeyUGQLZWSRVLOGQY-UHFFFAOYSA-N
XLogP0.38
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide (CID 51103263) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is UGQLZWSRVLOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-6-19(9-13(20)17(3)4)23(21,22)11-7-12-10(2)16-18(5)14(12)15-8-11/h7-8H,6,9H2,1-5H3.
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 339.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 51103263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).