N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H22N4O3S — CID 71143763

IUPACN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyXWAIXHXSKBBWBN-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.74
Rot. Bonds6

About N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71143763) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71143763
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1
InChIInChI=1S/C23H22N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyXWAIXHXSKBBWBN-UHFFFAOYSA-N
XLogP3.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71143763) is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.
What is the InChIKey of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is XWAIXHXSKBBWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71143763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).