4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

C22H20N4O4S — CID 71216999

IUPAC4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(O)cc4)c3n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-23-21-20(25-18)19(12-24-21)26-22(28)15-3-7-16(27)8-4-15/h3-13,27H,1-2H3,(H,23,24)(H,26,28)
InChIKeySRMFCJKKKMMESW-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.76
Rot. Bonds5

About 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 71216999) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
PubChem CID71216999
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(O)cc4)c3n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-23-21-20(25-18)19(12-24-21)26-22(28)15-3-7-16(27)8-4-15/h3-13,27H,1-2H3,(H,23,24)(H,26,28)
InChIKeySRMFCJKKKMMESW-UHFFFAOYSA-N
XLogP3.76
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (CID 71216999) is 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(O)cc4)c3n2)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The InChIKey is SRMFCJKKKMMESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-23-21-20(25-18)19(12-24-21)26-22(28)15-3-7-16(27)8-4-15/h3-13,27H,1-2H3,(H,23,24)(H,26,28).
What are the key properties of 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 71216999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).