5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

C136H136N18O17S11 — CID 167696571

IUPAC5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESC.C.C.C.C.C.C.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccoc4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3cnn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ncc3ccn(Cc4cccs4)c3n2)cc1
InChIInChI=1S/2C19H16N2O3S.C19H16N2O2S2.C18H15N3O3S.3C18H15N3O2S2.7CH4/c1-25(22,23)17-5-2-15(3-6-17)18-7-4-16-8-10-21(19(16)20-18)12-14-9-11-24-13-14;2*1-25(22,23)17-7-4-14(5-8-17)18-9-6-15-10-11-21(19(15)20-18)13-16-3-2-12-24-16;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;1-25(22,23)16-7-4-13(5-8-16)17-9-6-14-11-19-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)16-6-4-13(5-7-16)17-19-11-14-8-9-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;;;;;;;/h2-11,13H,12H2,1H3;2*2-12H,13H2,1H3;4*2-11H,12H2,1H3;7*1H4
InChIKeyXSZIXWPHOFPNLE-UHFFFAOYSA-N
MW2647.43 g/mol
LogP30.14
Rot. Bonds28

About 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 167696571) has the molecular formula C136H136N18O17S11 and a molecular weight of 2647.43 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID167696571
Molecular FormulaC136H136N18O17S11
Molecular Weight2647.43 g/mol
Exact Mass2644.73
IUPAC Name5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESC.C.C.C.C.C.C.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccoc4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3cnn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ncc3ccn(Cc4cccs4)c3n2)cc1
InChIInChI=1S/2C19H16N2O3S.C19H16N2O2S2.C18H15N3O3S.3C18H15N3O2S2.7CH4/c1-25(22,23)17-5-2-15(3-6-17)18-7-4-16-8-10-21(19(16)20-18)12-14-9-11-24-13-14;2*1-25(22,23)17-7-4-14(5-8-17)18-9-6-15-10-11-21(19(15)20-18)13-16-3-2-12-24-16;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;1-25(22,23)16-7-4-13(5-8-16)17-9-6-14-11-19-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)16-6-4-13(5-7-16)17-19-11-14-8-9-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;;;;;;;/h2-11,13H,12H2,1H3;2*2-12H,13H2,1H3;4*2-11H,12H2,1H3;7*1H4
InChIKeyXSZIXWPHOFPNLE-UHFFFAOYSA-N
XLogP30.14
TPSA454.70 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.43
LogP ≤ 530.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

CID 157363891
CID 157363891
CID 157614888
CID 157614888
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(cyclohexen-1-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
CID 123380043
1-[7-Amino-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(furan-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-quinolin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157057792
8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[4-amino-2-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157068617
5-(1-Benzofuran-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-benzothiophen-2-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(3,5-dimethylphenyl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(4-methylphenyl)methylsulfonyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157240290
CID 157306701
CID 157306701
1,3-Benzothiazole;undecakis(2,2-dimethylpropane);furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;methane;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine
CID 157353488
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157486329
1,2-Dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine
CID 157520083
2-[2-[8-[3-(1-Benzothiophen-2-yl)-5-[5-[3-(1-benzothiophen-2-yl)-5-[3-[6-(furan-2-yl)-4-methyl-2-pyridinyl]-6-[6-(furan-3-yl)-4-methyl-2-pyridinyl]carbazol-9-yl]phenyl]thiophen-2-yl]phenyl]dibenzothiophen-1-yl]phenyl]-1,3,4-thiadiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157538838
3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-3-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-N-methyl-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 157554412

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (CID 167696571) is 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is C.C.C.C.C.C.C.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3ccn(Cc4ccoc4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ccc3cnn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4ccco4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3n2)cc1.CS(=O)(=O)c1ccc(-c2ncc3ccn(Cc4cccs4)c3n2)cc1.
What is the InChIKey of 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is XSZIXWPHOFPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N2O3S.C19H16N2O2S2.C18H15N3O3S.3C18H15N3O2S2.7CH4/c1-25(22,23)17-5-2-15(3-6-17)18-7-4-16-8-10-21(19(16)20-18)12-14-9-11-24-13-14;2*1-25(22,23)17-7-4-14(5-8-17)18-9-6-15-10-11-21(19(15)20-18)13-16-3-2-12-24-16;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;1-25(22,23)16-7-4-13(5-8-16)17-9-6-14-11-19-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)16-6-4-13(5-7-16)17-19-11-14-8-9-21(18(14)20-17)12-15-3-2-10-24-15;1-25(22,23)15-6-4-13(5-7-15)17-11-19-16-8-9-21(18(16)20-17)12-14-3-2-10-24-14;;;;;;;/h2-11,13H,12H2,1H3;2*2-12H,13H2,1H3;4*2-11H,12H2,1H3;7*1H4.
What are the key properties of 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 2647.43 g/mol, XLogP of 30.14, 28 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;1-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridine;methane;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine;2-(4-methylsulfonylphenyl)-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167696571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).