1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine

C19H15N3O2S — CID 175840128

IUPAC1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cn2ncc3cccnc32)cc1
InChIInChI=1S/C19H15N3O2S/c23-25(24,17-6-2-1-3-7-17)18-10-8-15(9-11-18)14-22-19-16(13-21-22)5-4-12-20-19/h1-13H,14H2
InChIKeyMZHRLRXZVDDZQO-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.31
Rot. Bonds4

About 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine

1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine (PubChem CID 175840128) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine
PubChem CID175840128
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cn2ncc3cccnc32)cc1
InChIInChI=1S/C19H15N3O2S/c23-25(24,17-6-2-1-3-7-17)18-10-8-15(9-11-18)14-22-19-16(13-21-22)5-4-12-20-19/h1-13H,14H2
InChIKeyMZHRLRXZVDDZQO-UHFFFAOYSA-N
XLogP3.31
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine (CID 175840128) is 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine is O=S(=O)(c1ccccc1)c1ccc(Cn2ncc3cccnc32)cc1.
What is the InChIKey of 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is MZHRLRXZVDDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-25(24,17-6-2-1-3-7-17)18-10-8-15(9-11-18)14-22-19-16(13-21-22)5-4-12-20-19/h1-13H,14H2.
What are the key properties of 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine?
1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 349.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 175840128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).