N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate

C51H56N12O10S2 — CID 158312332

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cnc2N)cc1
InChIInChI=1S/C28H32N6O6S.C23H24N6O4S/c1-17(35)33-41(38,39)21-13-11-20(12-14-21)31-26(36)24-25(29)30-16-22(32-24)18-7-9-19(10-8-18)23-6-5-15-34(23)27(37)40-28(2,3)4;1-14(30)29-34(32,33)18-10-8-17(9-11-18)27-23(31)21-22(24)26-13-20(28-21)16-6-4-15(5-7-16)19-3-2-12-25-19/h7-14,16,23H,5-6,15H2,1-4H3,(H2,29,30)(H,31,36)(H,33,35);4-11,13,19,25H,2-3,12H2,1H3,(H2,24,26)(H,27,31)(H,29,30)
InChIKeyGNVFHOHNAAFNPN-UHFFFAOYSA-N
MW1061.22 g/mol
LogP6.10
Rot. Bonds12

About N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate (PubChem CID 158312332) has the molecular formula C51H56N12O10S2 and a molecular weight of 1061.22 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
PubChem CID158312332
Molecular FormulaC51H56N12O10S2
Molecular Weight1061.22 g/mol
Exact Mass1060.37
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cnc2N)cc1
InChIInChI=1S/C28H32N6O6S.C23H24N6O4S/c1-17(35)33-41(38,39)21-13-11-20(12-14-21)31-26(36)24-25(29)30-16-22(32-24)18-7-9-19(10-8-18)23-6-5-15-34(23)27(37)40-28(2,3)4;1-14(30)29-34(32,33)18-10-8-17(9-11-18)27-23(31)21-22(24)26-13-20(28-21)16-6-4-15(5-7-16)19-3-2-12-25-19/h7-14,16,23H,5-6,15H2,1-4H3,(H2,29,30)(H,31,36)(H,33,35);4-11,13,19,25H,2-3,12H2,1H3,(H2,24,26)(H,27,31)(H,29,30)
InChIKeyGNVFHOHNAAFNPN-UHFFFAOYSA-N
XLogP6.10
TPSA329.85 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001061.22
LogP ≤ 56.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
[[4-[[3-Amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorophenyl]sulfonyloxy-methylphosphoryl] 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzenesulfonate
CID 175401234
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(2-pyrrol-1-ylethyl)pyrazine-2-carboxamide
CID 10006377
3-amino-6-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10115932
3-amino-N-[5-[3-(dimethylamino)propyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10118321
3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 10164180
Tert-butyl 4[(4-(5-amino-6-[(pyridin-3-ylamino)carbonyl)pyrazin-2-yl)phenyl)sulfonyl]piperazine-1-carboxylate
CID 10165746
tert-butyl N-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]sulfonyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 10189164
3-amino-6-[4-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10226920
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride
CID 10231704
3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 10277570

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate (CID 158312332) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
The InChIKey is GNVFHOHNAAFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O6S.C23H24N6O4S/c1-17(35)33-41(38,39)21-13-11-20(12-14-21)31-26(36)24-25(29)30-16-22(32-24)18-7-9-19(10-8-18)23-6-5-15-34(23)27(37)40-28(2,3)4;1-14(30)29-34(32,33)18-10-8-17(9-11-18)27-23(31)21-22(24)26-13-20(28-21)16-6-4-15(5-7-16)19-3-2-12-25-19/h7-14,16,23H,5-6,15H2,1-4H3,(H2,29,30)(H,31,36)(H,33,35);4-11,13,19,25H,2-3,12H2,1H3,(H2,24,26)(H,27,31)(H,29,30).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate has a molecular weight of 1061.22 g/mol, XLogP of 6.10, 12 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazine-2-carboxamide;tert-butyl 2-[4-[6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]-5-aminopyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158312332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).