N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C17H20N4O2S — CID 30861077

IUPACN-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCn1c(=O)c2ccc(-c3cccs3)nc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)19-14(22)10-21-15-11(16(23)20(21)4)7-8-12(18-15)13-6-5-9-24-13/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyUOANGVUTFYSFQV-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.38
Rot. Bonds3

About N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 30861077) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID30861077
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCn1c(=O)c2ccc(-c3cccs3)nc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)19-14(22)10-21-15-11(16(23)20(21)4)7-8-12(18-15)13-6-5-9-24-13/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyUOANGVUTFYSFQV-UHFFFAOYSA-N
XLogP2.38
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 30861077) is N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cn1c(=O)c2ccc(-c3cccs3)nc2n1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is UOANGVUTFYSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-17(2,3)19-14(22)10-21-15-11(16(23)20(21)4)7-8-12(18-15)13-6-5-9-24-13/h5-9H,10H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyl-3-oxo-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 30861077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).