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

C24H18N4O3S — CID 67051389

IUPAC1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21
InChIInChI=1S/C24H18N4O3S/c29-32(30,20-4-2-1-3-5-20)28-15-22(19-13-26-27-14-19)21-11-18(12-25-24(21)28)16-6-7-23-17(10-16)8-9-31-23/h1-7,10-15H,8-9H2,(H,26,27)
InChIKeyLUEZXKYTQLXOQX-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.27
Rot. Bonds4

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

1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 67051389) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID67051389
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21
InChIInChI=1S/C24H18N4O3S/c29-32(30,20-4-2-1-3-5-20)28-15-22(19-13-26-27-14-19)21-11-18(12-25-24(21)28)16-6-7-23-17(10-16)8-9-31-23/h1-7,10-15H,8-9H2,(H,26,27)
InChIKeyLUEZXKYTQLXOQX-UHFFFAOYSA-N
XLogP4.27
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 67051389) is 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is LUEZXKYTQLXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c29-32(30,20-4-2-1-3-5-20)28-15-22(19-13-26-27-14-19)21-11-18(12-25-24(21)28)16-6-7-23-17(10-16)8-9-31-23/h1-7,10-15H,8-9H2,(H,26,27).
What are the key properties of 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 442.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67051389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).