N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C13H15N5O2S — CID 18151396

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3CCSC3=O)cc12
InChIInChI=1S/C13H15N5O2S/c1-8-10-5-9(6-14-12(10)17(2)16-8)15-11(19)7-18-3-4-21-13(18)20/h5-6H,3-4,7H2,1-2H3,(H,15,19)
InChIKeySFEIIKGOFVLFKG-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.38
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18151396) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18151396
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3CCSC3=O)cc12
InChIInChI=1S/C13H15N5O2S/c1-8-10-5-9(6-14-12(10)17(2)16-8)15-11(19)7-18-3-4-21-13(18)20/h5-6H,3-4,7H2,1-2H3,(H,15,19)
InChIKeySFEIIKGOFVLFKG-UHFFFAOYSA-N
XLogP1.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18151396) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1nn(C)c2ncc(NC(=O)CN3CCSC3=O)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SFEIIKGOFVLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-10-5-9(6-14-12(10)17(2)16-8)15-11(19)7-18-3-4-21-13(18)20/h5-6H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18151396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).