tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid

C109H99N17O19S8 — CID 160568654

IUPACtert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)s4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4csc(C(=O)O)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4sccc4C(=O)O)c3n2)cc1.COc1cccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1
InChIInChI=1S/C28H28N4O4S.C21H20N4O3S.3C20H17N3O4S2/c1-17(2)37(34,35)20-12-10-18(11-13-20)22-16-30-26-25(31-22)21(15-29-26)24-14-19-8-6-7-9-23(19)32(24)27(33)36-28(3,4)5;1-13(2)29(26,27)15-9-7-14(8-10-15)18-12-23-21-20(25-18)16(11-22-21)17-5-4-6-19(24-17)28-3;1-11(2)29(26,27)14-5-3-12(4-6-14)16-9-22-19-18(23-16)15(8-21-19)13-7-17(20(24)25)28-10-13;1-11(2)29(26,27)13-5-3-12(4-6-13)15-10-22-19-18(23-15)14(9-21-19)16-7-8-17(28-16)20(24)25;1-11(2)29(26,27)13-5-3-12(4-6-13)16-10-22-19-17(23-16)15(9-21-19)18-14(20(24)25)7-8-28-18/h6-17H,1-5H3,(H,29,30);4-13H,1-3H3,(H,22,23);3*3-11H,1-2H3,(H,21,22)(H,24,25)
InChIKeyRAGMVSUVWONBAQ-UHFFFAOYSA-N
MW2207.63 g/mol
LogP22.79
Rot. Bonds24

About tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid

tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid (PubChem CID 160568654) has the molecular formula C109H99N17O19S8 and a molecular weight of 2207.63 g/mol. Its IUPAC name is tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid
PubChem CID160568654
Molecular FormulaC109H99N17O19S8
Molecular Weight2207.63 g/mol
Exact Mass2205.51
IUPAC Nametert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)s4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4csc(C(=O)O)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4sccc4C(=O)O)c3n2)cc1.COc1cccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1
InChIInChI=1S/C28H28N4O4S.C21H20N4O3S.3C20H17N3O4S2/c1-17(2)37(34,35)20-12-10-18(11-13-20)22-16-30-26-25(31-22)21(15-29-26)24-14-19-8-6-7-9-23(19)32(24)27(33)36-28(3,4)5;1-13(2)29(26,27)15-9-7-14(8-10-15)18-12-23-21-20(25-18)16(11-22-21)17-5-4-6-19(24-17)28-3;1-11(2)29(26,27)14-5-3-12(4-6-14)16-9-22-19-18(23-16)15(8-21-19)13-7-17(20(24)25)28-10-13;1-11(2)29(26,27)13-5-3-12(4-6-13)15-10-22-19-18(23-15)14(9-21-19)16-7-8-17(28-16)20(24)25;1-11(2)29(26,27)13-5-3-12(4-6-13)16-10-22-19-17(23-16)15(9-21-19)18-14(20(24)25)7-8-28-18/h6-17H,1-5H3,(H,29,30);4-13H,1-3H3,(H,22,23);3*3-11H,1-2H3,(H,21,22)(H,24,25)
InChIKeyRAGMVSUVWONBAQ-UHFFFAOYSA-N
XLogP22.79
TPSA543.80 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.63
LogP ≤ 522.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 157064373
7-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157304688
[2-[2-(1H-imidazol-5-yl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(2-pyridin-2-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 157361590
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;molecular hydrogen;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carbonitrile
CID 157419304
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493676
tert-butyl 5-fluoro-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;tert-butyl 5-methoxy-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(1-methylindol-6-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157741559
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;7-[2-(methoxymethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;[2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]methanol
CID 157965860
1-N-[3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(4-methylsulfinylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(2-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(3-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;ethyl 3-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzoate;methane
CID 158059971
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 158782522
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-indol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 159052075
N,N-dimethyl-3-[[5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-pyridinyl]oxy]propan-1-amine;7-(1H-indol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenol;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 159075757
[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 159160704

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid?
The IUPAC name of tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid (CID 160568654) is tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid?
The canonical SMILES for tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)s4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4csc(C(=O)O)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4sccc4C(=O)O)c3n2)cc1.COc1cccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n1.
What is the InChIKey of tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid?
The InChIKey is RAGMVSUVWONBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S.C21H20N4O3S.3C20H17N3O4S2/c1-17(2)37(34,35)20-12-10-18(11-13-20)22-16-30-26-25(31-22)21(15-29-26)24-14-19-8-6-7-9-23(19)32(24)27(33)36-28(3,4)5;1-13(2)29(26,27)15-9-7-14(8-10-15)18-12-23-21-20(25-18)16(11-22-21)17-5-4-6-19(24-17)28-3;1-11(2)29(26,27)14-5-3-12(4-6-14)16-9-22-19-18(23-16)15(8-21-19)13-7-17(20(24)25)28-10-13;1-11(2)29(26,27)13-5-3-12(4-6-13)15-10-22-19-18(23-15)14(9-21-19)16-7-8-17(28-16)20(24)25;1-11(2)29(26,27)13-5-3-12(4-6-13)16-10-22-19-17(23-16)15(9-21-19)18-14(20(24)25)7-8-28-18/h6-17H,1-5H3,(H,29,30);4-13H,1-3H3,(H,22,23);3*3-11H,1-2H3,(H,21,22)(H,24,25).
What are the key properties of tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid?
tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid has a molecular weight of 2207.63 g/mol, XLogP of 22.79, 24 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]indole-1-carboxylate;7-(6-methoxy-2-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-3-carboxylic acid;4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 160568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).