6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide

C13H16N4O3S — CID 146154521

IUPAC6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NS(C)(=O)=O)c12
InChIInChI=1S/C13H16N4O3S/c1-7-11-9(13(18)16-21(3,19)20)6-10(8-4-5-8)14-12(11)17(2)15-7/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBTEROUBGOLAAAC-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.84
Rot. Bonds3

About 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146154521) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146154521
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NS(C)(=O)=O)c12
InChIInChI=1S/C13H16N4O3S/c1-7-11-9(13(18)16-21(3,19)20)6-10(8-4-5-8)14-12(11)17(2)15-7/h6,8H,4-5H2,1-3H3,(H,16,18)
InChIKeyBTEROUBGOLAAAC-UHFFFAOYSA-N
XLogP0.84
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 146154521) is 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NS(C)(=O)=O)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BTEROUBGOLAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7-11-9(13(18)16-21(3,19)20)6-10(8-4-5-8)14-12(11)17(2)15-7/h6,8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146154521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).