5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine

C21H20N4O3S — CID 118611244

IUPAC5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
SMILESCC(C)Oc1ccc(S(=O)(=O)c2c(N)n(-c3ccccc3)c3nccnc23)cc1
InChIInChI=1S/C21H20N4O3S/c1-14(2)28-16-8-10-17(11-9-16)29(26,27)19-18-21(24-13-12-23-18)25(20(19)22)15-6-4-3-5-7-15/h3-14H,22H2,1-2H3
InChIKeyMDBBGUBSAIEACW-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.62
Rot. Bonds5

About 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine

5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine (PubChem CID 118611244) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
PubChem CID118611244
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
SMILESCC(C)Oc1ccc(S(=O)(=O)c2c(N)n(-c3ccccc3)c3nccnc23)cc1
InChIInChI=1S/C21H20N4O3S/c1-14(2)28-16-8-10-17(11-9-16)29(26,27)19-18-21(24-13-12-23-18)25(20(19)22)15-6-4-3-5-7-15/h3-14H,22H2,1-2H3
InChIKeyMDBBGUBSAIEACW-UHFFFAOYSA-N
XLogP3.62
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611264
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine
CID 118611347
1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
CID 110868064
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
4-phenyl-3-(4-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
CID 938443
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
2-(benzenesulfonyl)-5-propan-2-yloxyphenol
CID 22133617
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The IUPAC name of 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine (CID 118611244) is 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine.
What is the SMILES notation for 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The canonical SMILES for 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine is CC(C)Oc1ccc(S(=O)(=O)c2c(N)n(-c3ccccc3)c3nccnc23)cc1.
What is the InChIKey of 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The InChIKey is MDBBGUBSAIEACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14(2)28-16-8-10-17(11-9-16)29(26,27)19-18-21(24-13-12-23-18)25(20(19)22)15-6-4-3-5-7-15/h3-14H,22H2,1-2H3.
What are the key properties of 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine has a molecular weight of 408.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 118611244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).