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

C24H21N3O2S — CID 157493677

IUPAC7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)C=CC5)c3n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-15(2)30(28,29)20-10-8-17(9-11-20)22-14-26-24-23(27-22)21(13-25-24)19-7-6-16-4-3-5-18(16)12-19/h3,5-15H,4H2,1-2H3,(H,25,26)
InChIKeyNYACHBNOCDMRRV-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.04
Rot. Bonds4

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

7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 157493677) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID157493677
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)C=CC5)c3n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-15(2)30(28,29)20-10-8-17(9-11-20)22-14-26-24-23(27-22)21(13-25-24)19-7-6-16-4-3-5-18(16)12-19/h3,5-15H,4H2,1-2H3,(H,25,26)
InChIKeyNYACHBNOCDMRRV-UHFFFAOYSA-N
XLogP5.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 157317773
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493676
7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56591935
7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 66764068
7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 66763926
5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline
CID 66763350
7-(1-benzothiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56591934
N-(cyclobutadienyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71208265
7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 161396343
N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-pyrrole-4-carboxamide
CID 90376943
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
7-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 121273855

Frequently Asked Questions

What is the IUPAC name of 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 157493677) is 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)C=CC5)c3n2)cc1.
What is the InChIKey of 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is NYACHBNOCDMRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-15(2)30(28,29)20-10-8-17(9-11-20)22-14-26-24-23(27-22)21(13-25-24)19-7-6-16-4-3-5-18(16)12-19/h3,5-15H,4H2,1-2H3,(H,25,26).
What are the key properties of 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 415.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 157493677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).