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

C13H19N5O3S — CID 51103262

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H19N5O3S/c1-5-18(8-12(19)14-3)22(20,21)10-6-11-9(2)16-17(4)13(11)15-7-10/h6-7H,5,8H2,1-4H3,(H,14,19)
InChIKeyWUGFTNNFBSXJMF-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.03
Rot. Bonds5

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

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 51103262) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID51103262
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H19N5O3S/c1-5-18(8-12(19)14-3)22(20,21)10-6-11-9(2)16-17(4)13(11)15-7-10/h6-7H,5,8H2,1-4H3,(H,14,19)
InChIKeyWUGFTNNFBSXJMF-UHFFFAOYSA-N
XLogP0.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
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-methylacetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide (CID 51103262) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)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-methylacetamide?
The InChIKey is WUGFTNNFBSXJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-5-18(8-12(19)14-3)22(20,21)10-6-11-9(2)16-17(4)13(11)15-7-10/h6-7H,5,8H2,1-4H3,(H,14,19).
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 325.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 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-methylacetamide is sourced from PubChem (CID 51103262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).