N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C117H118N22O17S5 — CID 158707153

IUPACN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC(=O)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccnc4)c3n2)cc1.COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C25H26N4O4S.C24H22N4O4S.C23H23N5O3S.C23H22N4O3S.C22H21N5O3S.2H2/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17;1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)31(29,30)17-7-5-16(6-8-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-4-3-9-23-10-15;;/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30);3-13,15H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);2*1H/t22-;;;;;;/m0....../s1
InChIKeyIIGFKPSPBXLACF-JMCKARTDSA-N
MW2264.70 g/mol
LogP17.88
Rot. Bonds34

About N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158707153) has the molecular formula C117H118N22O17S5 and a molecular weight of 2264.70 g/mol. Its IUPAC name is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID158707153
Molecular FormulaC117H118N22O17S5
Molecular Weight2264.70 g/mol
Exact Mass2262.76
IUPAC NameN-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC(=O)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccnc4)c3n2)cc1.COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C25H26N4O4S.C24H22N4O4S.C23H23N5O3S.C23H22N4O3S.C22H21N5O3S.2H2/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17;1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)31(29,30)17-7-5-16(6-8-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-4-3-9-23-10-15;;/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30);3-13,15H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);2*1H/t22-;;;;;;/m0....../s1
InChIKeyIIGFKPSPBXLACF-JMCKARTDSA-N
XLogP17.88
TPSA576.13 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.70
LogP ≤ 517.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-(dimethylamino)-N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide;2-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-(1-methoxyethenyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]acetamide
CID 123703366
N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one
CID 157103212
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-cyclobutyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157122643
N-[(1S)-1-(2-fluorophenyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-fluorophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157124741
N-(2-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(4-aminophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane;N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(4-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
CID 157215216
5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[4-(dimethylamino)piperidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[3-(dimethylamino)propyl-methylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157241472
(3R)-N-[2,4-difluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;(3R)-N-[2,4-difluoro-3-[5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(1-methylpiperidin-4-yl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine
CID 157274475
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(azetidin-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2-methoxyethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;morpholin-4-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157480457
4-[(3S)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-phenyl-3-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]urea
CID 157495527
N-(cyclobutylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(cyclopentylmethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypyrrolidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 157516447
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-hydroxypentan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(4-methylpiperazin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen
CID 157569254
6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;ethane;molecular hydrogen;5-piperazin-1-yl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 157588819

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158707153) is N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCC(=O)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccnc4)c3n2)cc1.COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.[H][H].[H][H].
What is the InChIKey of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IIGFKPSPBXLACF-JMCKARTDSA-N. The full InChI is InChI=1S/C25H26N4O4S.C24H22N4O4S.C23H23N5O3S.C23H22N4O3S.C22H21N5O3S.2H2/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17;1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17;1-15(2)32(30,31)18-8-6-16(7-9-18)20-14-27-22-21(28-20)19(13-26-22)23(29)25-12-10-17-5-3-4-11-24-17;1-15(2)31(29,30)18-10-8-17(9-11-18)20-14-25-22-21(27-20)19(13-24-22)23(28)26-12-16-6-4-3-5-7-16;1-14(2)31(29,30)17-7-5-16(6-8-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-4-3-9-23-10-15;;/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30);3-13,15H,14H2,1-2H3,(H,25,26)(H,27,30);3-9,11,13-15H,10,12H2,1-2H3,(H,25,29)(H,26,27);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);2*1H/t22-;;;;;;/m0....../s1.
What are the key properties of N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2264.70 g/mol, XLogP of 17.88, 34 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenacyl-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158707153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).