2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide

C100H98N26O17S5 — CID 157246131

IUPAC2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccn4)c3n2)cc1
InChIInChI=1S/C23H22N4O4S.C21H19N5O3S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-13(2)30(28,29)15-8-6-14(7-9-15)17-11-23-20-19(25-17)18(12-24-20)26-21(27)16-5-3-4-10-22-16;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-13H,1-2H3,(H,23,24)(H,26,27);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyAVUDLFBMMGNNOB-UHFFFAOYSA-N
MW2096.38 g/mol
LogP14.22
Rot. Bonds28

About 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide

2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 157246131) has the molecular formula C100H98N26O17S5 and a molecular weight of 2096.38 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID157246131
Molecular FormulaC100H98N26O17S5
Molecular Weight2096.38 g/mol
Exact Mass2094.62
IUPAC Name2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccn4)c3n2)cc1
InChIInChI=1S/C23H22N4O4S.C21H19N5O3S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-13(2)30(28,29)15-8-6-14(7-9-15)17-11-23-20-19(25-17)18(12-24-20)26-21(27)16-5-3-4-10-22-16;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-13H,1-2H3,(H,23,24)(H,26,27);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyAVUDLFBMMGNNOB-UHFFFAOYSA-N
XLogP14.22
TPSA633.65 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002096.38
LogP ≤ 514.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide with MolForge

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Related Compounds

2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 158032619
molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 158103032
N-(5-tert-butylfuran-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-1,4-diazepane-1-carboxylate;tert-butyl 4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]piperazine-1-carboxylate;N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158217929
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;molecular hydrogen
CID 158843915
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 158887175
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 158949829
N-[(2,3-difluorophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,6-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 159096862
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]methanone;N-[[2-(hydroxymethyl)phenyl]methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 159751993
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;6-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide
CID 159831895
4-(azetidin-3-ylamino)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[2-(dimethylamino)ethoxy]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4-pyrrolidin-2-ylbenzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
CID 159967526
3-(aminomethyl)-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;3-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide
CID 160028586
5-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(dimethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(methylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 160417284

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide (CID 157246131) is 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccn4)c3n2)cc1.
What is the InChIKey of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is AVUDLFBMMGNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.C21H19N5O3S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-13(2)30(28,29)15-8-6-14(7-9-15)17-11-23-20-19(25-17)18(12-24-20)26-21(27)16-5-3-4-10-22-16;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-13H,1-2H3,(H,23,24)(H,26,27);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 2096.38 g/mol, XLogP of 14.22, 28 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 157246131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).