5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine

C16H14BrN3O2S — CID 166137832

IUPAC5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1nc(-c2ccc(S(=O)(=O)C3CC3)cc2)c2cc(Br)cnc21
InChIInChI=1S/C16H14BrN3O2S/c1-20-16-14(8-11(17)9-18-16)15(19-20)10-2-4-12(5-3-10)23(21,22)13-6-7-13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyZSIBRXHQAFKQOH-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine

5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine (PubChem CID 166137832) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine
PubChem CID166137832
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1nc(-c2ccc(S(=O)(=O)C3CC3)cc2)c2cc(Br)cnc21
InChIInChI=1S/C16H14BrN3O2S/c1-20-16-14(8-11(17)9-18-16)15(19-20)10-2-4-12(5-3-10)23(21,22)13-6-7-13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyZSIBRXHQAFKQOH-UHFFFAOYSA-N
XLogP3.33
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine (CID 166137832) is 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine is Cn1nc(-c2ccc(S(=O)(=O)C3CC3)cc2)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine?
The InChIKey is ZSIBRXHQAFKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-20-16-14(8-11(17)9-18-16)15(19-20)10-2-4-12(5-3-10)23(21,22)13-6-7-13/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine?
5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine has a molecular weight of 392.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 166137832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).