7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

C23H19N3O2S2 — CID 56591934

IUPAC7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5s4)c3n2)cc1
InChIInChI=1S/C23H19N3O2S2/c1-14(2)30(27,28)17-9-7-15(8-10-17)19-13-25-23-22(26-19)18(12-24-23)21-11-16-5-3-4-6-20(16)29-21/h3-14H,1-2H3,(H,24,25)
InChIKeyAYICQDUIBDKQLP-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.69
Rot. Bonds4

About 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 56591934) has the molecular formula C23H19N3O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID56591934
Molecular FormulaC23H19N3O2S2
Molecular Weight433.56 g/mol
Exact Mass433.09
IUPAC Name7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5s4)c3n2)cc1
InChIInChI=1S/C23H19N3O2S2/c1-14(2)30(27,28)17-9-7-15(8-10-17)19-13-25-23-22(26-19)18(12-24-23)21-11-16-5-3-4-6-20(16)29-21/h3-14H,1-2H3,(H,24,25)
InChIKeyAYICQDUIBDKQLP-UHFFFAOYSA-N
XLogP5.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 66764068
molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 157317773
7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 66763926
7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56591935
5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline
CID 66763350
7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 161396343
7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493677
1-[3-[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1,2-oxazol-3-yl]phenyl]ethanamine
CID 70652690
N-[3-(1-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208819
N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71477777
N-(cyclobutadienyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208265
N-methyl-N-[1-(3-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118281094

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 56591934) is 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5s4)c3n2)cc1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is AYICQDUIBDKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S2/c1-14(2)30(27,28)17-9-7-15(8-10-17)19-13-25-23-22(26-19)18(12-24-23)21-11-16-5-3-4-6-20(16)29-21/h3-14H,1-2H3,(H,24,25).
What are the key properties of 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 433.56 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 56591934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).