1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine

C19H16N4O2S — CID 122675002

IUPAC1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(-c4ccnc(C)c4)cnc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-3-5-18(6-4-13)26(24,25)23-19-17(12-22-23)10-16(11-21-19)15-7-8-20-14(2)9-15/h3-12H,1-2H3
InChIKeyAOFIWJNQMMDKSK-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine

1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine (PubChem CID 122675002) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine
PubChem CID122675002
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(-c4ccnc(C)c4)cnc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-3-5-18(6-4-13)26(24,25)23-19-17(12-22-23)10-16(11-21-19)15-7-8-20-14(2)9-15/h3-12H,1-2H3
InChIKeyAOFIWJNQMMDKSK-UHFFFAOYSA-N
XLogP3.35
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
CID 163698061
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
CID 133058893
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
4-methyl-N-(4-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]aniline
CID 146220866
2-(4-methylphenyl)sulfonylpyridazin-3-one
CID 144748375
2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
5-bromo-1-(4-methylphenyl)sulfonyl-2-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridine
CID 177130136
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine (CID 122675002) is 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine is Cc1ccc(S(=O)(=O)n2ncc3cc(-c4ccnc(C)c4)cnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The InChIKey is AOFIWJNQMMDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-3-5-18(6-4-13)26(24,25)23-19-17(12-22-23)10-16(11-21-19)15-7-8-20-14(2)9-15/h3-12H,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine?
1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine has a molecular weight of 364.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 122675002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).