3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide

C16H16N4O3S — CID 146154538

IUPAC3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(C)c3cc(C(=O)NS(C)(=O)=O)cnc32)cc1
InChIInChI=1S/C16H16N4O3S/c1-10-4-6-13(7-5-10)20-15-14(11(2)18-20)8-12(9-17-15)16(21)19-24(3,22)23/h4-9H,1-3H3,(H,19,21)
InChIKeyNAFAXOOGJZHFKI-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.73
Rot. Bonds3

About 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide

3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 146154538) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID146154538
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(C)c3cc(C(=O)NS(C)(=O)=O)cnc32)cc1
InChIInChI=1S/C16H16N4O3S/c1-10-4-6-13(7-5-10)20-15-14(11(2)18-20)8-12(9-17-15)16(21)19-24(3,22)23/h4-9H,1-3H3,(H,19,21)
InChIKeyNAFAXOOGJZHFKI-UHFFFAOYSA-N
XLogP1.73
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 146154538) is 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1ccc(-n2nc(C)c3cc(C(=O)NS(C)(=O)=O)cnc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is NAFAXOOGJZHFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-4-6-13(7-5-10)20-15-14(11(2)18-20)8-12(9-17-15)16(21)19-24(3,22)23/h4-9H,1-3H3,(H,19,21).
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 146154538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).