3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

C56H72Br2N16O8S3 — CID 160574852

IUPAC3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(N)C3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(NC(=O)OC(C)(C)C)C3)n2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C22H31N5O4S.C17H23N5O2S.C13H14BrN3O2S.C4H4BrN3/c1-14(2)32(29,30)17-8-6-15(7-9-17)18-12-24-19(23)20(26-18)27-11-10-16(13-27)25-21(28)31-22(3,4)5;1-11(2)25(23,24)14-5-3-12(4-6-14)15-9-20-16(19)17(21-15)22-8-7-13(18)10-22;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h6-9,12,14,16H,10-11,13H2,1-5H3,(H2,23,24)(H,25,28);3-6,9,11,13H,7-8,10,18H2,1-2H3,(H2,19,20);3-8H,1-2H3,(H2,15,16);1-2H,(H2,6,8)
InChIKeyRAZYYKWHZYKJEW-UHFFFAOYSA-N
MW1353.30 g/mol
LogP7.95
Rot. Bonds12

About 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 160574852) has the molecular formula C56H72Br2N16O8S3 and a molecular weight of 1353.30 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID160574852
Molecular FormulaC56H72Br2N16O8S3
Molecular Weight1353.30 g/mol
Exact Mass1350.32
IUPAC Name3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(N)C3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(NC(=O)OC(C)(C)C)C3)n2)cc1.Nc1cnc(Br)cn1
InChIInChI=1S/C22H31N5O4S.C17H23N5O2S.C13H14BrN3O2S.C4H4BrN3/c1-14(2)32(29,30)17-8-6-15(7-9-17)18-12-24-19(23)20(26-18)27-11-10-16(13-27)25-21(28)31-22(3,4)5;1-11(2)25(23,24)14-5-3-12(4-6-14)15-9-20-16(19)17(21-15)22-8-7-13(18)10-22;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h6-9,12,14,16H,10-11,13H2,1-5H3,(H2,23,24)(H,25,28);3-6,9,11,13H,7-8,10,18H2,1-2H3,(H2,19,20);3-8H,1-2H3,(H2,15,16);1-2H,(H2,6,8)
InChIKeyRAZYYKWHZYKJEW-UHFFFAOYSA-N
XLogP7.95
TPSA380.45 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001353.30
LogP ≤ 57.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-yl]carbamate;3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)-3-(2-trimethylsilylethynyl)pyrazin-2-amine
CID 159615526
4-[(3S)-3-aminopyrrolidin-1-yl]-N-methylbenzenesulfonamide;tert-butyl N-[(3S)-1-[4-(methylsulfamoyl)phenyl]pyrrolidin-3-yl]carbamate;methane
CID 161250249
tert-butyl N-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]carbamate
CID 58972390
tert-butyl N-[1-(3-amino-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]carbamate
CID 140784287
tert-butyl N-[(3S)-1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 71503698
tert-butyl N-[1-(6-amino-5-formylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 58770008
tert-butyl N-[(3R)-1-[6-amino-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinolin-1-yl]pyrrolidin-3-yl]carbamate
CID 163288774
tert-butyl N-[1-(6-aminoisoquinolin-1-yl)piperidin-4-yl]carbamate
CID 138048047
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[1-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]piperidin-4-yl]carbamate
CID 50840467
tert-butyl N-[(3R)-1-(7-nitroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 163288750

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 160574852) is 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(N)C3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(N3CCC(NC(=O)OC(C)(C)C)C3)n2)cc1.Nc1cnc(Br)cn1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is RAZYYKWHZYKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S.C17H23N5O2S.C13H14BrN3O2S.C4H4BrN3/c1-14(2)32(29,30)17-8-6-15(7-9-17)18-12-24-19(23)20(26-18)27-11-10-16(13-27)25-21(28)31-22(3,4)5;1-11(2)25(23,24)14-5-3-12(4-6-14)15-9-20-16(19)17(21-15)22-8-7-13(18)10-22;1-8(2)20(18,19)10-5-3-9(4-6-10)11-7-16-13(15)12(14)17-11;5-3-1-8-4(6)2-7-3/h6-9,12,14,16H,10-11,13H2,1-5H3,(H2,23,24)(H,25,28);3-6,9,11,13H,7-8,10,18H2,1-2H3,(H2,19,20);3-8H,1-2H3,(H2,15,16);1-2H,(H2,6,8).
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 1353.30 g/mol, XLogP of 7.95, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;tert-butyl N-[1-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 160574852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).