1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine

C22H15FN4O2S — CID 59812189

IUPAC1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc(F)cc3)cnc21
InChIInChI=1S/C22H15FN4O2S/c23-18-8-6-15(7-9-18)16-10-20-21(17-12-25-26-13-17)14-27(22(20)24-11-16)30(28,29)19-4-2-1-3-5-19/h1-14H,(H,25,26)
InChIKeyHDVJVXXQGHARDA-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.47
Rot. Bonds4

About 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 59812189) has the molecular formula C22H15FN4O2S and a molecular weight of 418.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID59812189
Molecular FormulaC22H15FN4O2S
Molecular Weight418.45 g/mol
Exact Mass418.09
IUPAC Name1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc(F)cc3)cnc21
InChIInChI=1S/C22H15FN4O2S/c23-18-8-6-15(7-9-18)16-10-20-21(17-12-25-26-13-17)14-27(22(20)24-11-16)30(28,29)19-4-2-1-3-5-19/h1-14H,(H,25,26)
InChIKeyHDVJVXXQGHARDA-UHFFFAOYSA-N
XLogP4.47
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 59812189) is 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc(F)cc3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is HDVJVXXQGHARDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O2S/c23-18-8-6-15(7-9-18)16-10-20-21(17-12-25-26-13-17)14-27(22(20)24-11-16)30(28,29)19-4-2-1-3-5-19/h1-14H,(H,25,26).
What are the key properties of 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 418.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59812189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).