N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine

C97H98N16O13S9 — CID 167533081

IUPACN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc(-n2ccc3ccc(C(=O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4ccco4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc([C@@H](O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ncc(NCc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2nnc3ccc(NCc4cccs4)nc32)cc1
InChIInChI=1S/C19H17N3O3S.C19H16N2O3S2.C19H14N2O3S2.C18H16N4O2S2.C17H15N5O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;2*1-26(23,24)15-7-5-14(6-8-15)21-11-10-13-4-9-16(20-19(13)21)18(22)17-3-2-12-25-17;1-26(23,24)15-6-4-13(5-7-15)22-9-8-16-18(22)21-17(12-19-16)20-11-14-3-2-10-25-14;1-26(23,24)14-6-4-12(5-7-14)22-17-15(20-21-22)8-9-16(19-17)18-11-13-3-2-10-25-13;;;;;/h2-12H,13H2,1H3,(H,20,21);2-12,18,22H,1H3;2-12H,1H3;2-10,12H,11H2,1H3,(H,20,21);2-10H,11H2,1H3,(H,18,19);5*1H4/t;18-;;;;;;;;/m.1......../s1
InChIKeyAFQNLKYNYZAHKR-CZUNGAIESA-N
MW1984.55 g/mol
LogP20.50
Rot. Bonds23

About N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine

N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine (PubChem CID 167533081) has the molecular formula C97H98N16O13S9 and a molecular weight of 1984.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine
PubChem CID167533081
Molecular FormulaC97H98N16O13S9
Molecular Weight1984.55 g/mol
Exact Mass1982.50
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc(-n2ccc3ccc(C(=O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4ccco4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc([C@@H](O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ncc(NCc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2nnc3ccc(NCc4cccs4)nc32)cc1
InChIInChI=1S/C19H17N3O3S.C19H16N2O3S2.C19H14N2O3S2.C18H16N4O2S2.C17H15N5O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;2*1-26(23,24)15-7-5-14(6-8-15)21-11-10-13-4-9-16(20-19(13)21)18(22)17-3-2-12-25-17;1-26(23,24)15-6-4-13(5-7-15)22-9-8-16-18(22)21-17(12-19-16)20-11-14-3-2-10-25-14;1-26(23,24)14-6-4-12(5-7-14)22-17-15(20-21-22)8-9-16(19-17)18-11-13-3-2-10-25-13;;;;;/h2-12H,13H2,1H3,(H,20,21);2-12,18,22H,1H3;2-12H,1H3;2-10,12H,11H2,1H3,(H,20,21);2-10H,11H2,1H3,(H,18,19);5*1H4/t;18-;;;;;;;;/m.1......../s1
InChIKeyAFQNLKYNYZAHKR-CZUNGAIESA-N
XLogP20.50
TPSA385.00 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.55
LogP ≤ 520.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157213549
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
10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;24-methoxy-21,21-dioxo-3,21lambda6-dithia-6,8,10,14,22,25-hexazapentacyclo[21.3.1.12,5.116,20.04,9]nonacosa-1(27),2(29),4,6,8,16(28),17,19,23,25-decaen-15-one;(14R)-26-methoxy-23,23-dioxo-13-oxa-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;25-methoxy-22,22-dioxo-30-oxa-3,22lambda6-dithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one;25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
CID 157569975
cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157862214
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 158412405
8-amino-N,N-dipropyl-2-(1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-2-(furan-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(2R)-1-(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)pyrrolidine-2-carboxamide;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpyrrolidin-1-yl)methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-piperidin-1-ylmethanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
CID 158823028
2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine
CID 159021193
3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal
CID 159034061
4-(5-methylfuran-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 159253554
1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;1-tert-butylindole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;4-tert-butylthiadiazole;5-tert-butylthiadiazole;3-tert-butylthiophene 1,1-dioxide;2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine;5-tert-butyltriazine;6-tert-butyl-1,2,4-triazine;ethane;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
CID 159294321
N-[4-(2-aminoethyl)-1,2,4-triazol-3-yl]-1-phenyl-4-pyridin-4-ylimidazole-2-carboxamide;1-benzyl-2-[[4-(furan-2-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;1-benzyl-2-[[1-(4-methylphenyl)-4-thiophen-2-ylimidazol-2-yl]sulfanylmethyl]-4H-imidazole-5-thione;2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole;N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]decanamide
CID 159307771

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine (CID 167533081) is N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine is C.C.C.C.C.CS(=O)(=O)c1ccc(-n2ccc3ccc(C(=O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4ccco4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc([C@@H](O)c4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ncc(NCc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2nnc3ccc(NCc4cccs4)nc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AFQNLKYNYZAHKR-CZUNGAIESA-N. The full InChI is InChI=1S/C19H17N3O3S.C19H16N2O3S2.C19H14N2O3S2.C18H16N4O2S2.C17H15N5O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;2*1-26(23,24)15-7-5-14(6-8-15)21-11-10-13-4-9-16(20-19(13)21)18(22)17-3-2-12-25-17;1-26(23,24)15-6-4-13(5-7-15)22-9-8-16-18(22)21-17(12-19-16)20-11-14-3-2-10-25-14;1-26(23,24)14-6-4-12(5-7-14)22-17-15(20-21-22)8-9-16(19-17)18-11-13-3-2-10-25-13;;;;;/h2-12H,13H2,1H3,(H,20,21);2-12,18,22H,1H3;2-12H,1H3;2-10,12H,11H2,1H3,(H,20,21);2-10H,11H2,1H3,(H,18,19);5*1H4/t;18-;;;;;;;;/m.1......../s1.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine?
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine has a molecular weight of 1984.55 g/mol, XLogP of 20.50, 23 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 167533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).