3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C92H82Br3F6N17O12 — CID 160501841

IUPAC3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc21.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc12.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(Br)cc12.COc1ccc(Cn2[nH]c(=O)c3cc(Br)cnc32)cc1.O=C1NCc2ncc(Br)cc21
InChIInChI=1S/C31H28F3N5O4.C24H21F3N4O3.C16H16BrN3O2.C14H12BrN3O2.C7H5BrN2O/c1-4-43-29-25-14-22(16-35-28(25)39(38-29)18-20-7-11-24(41-2)12-8-20)21-9-5-19(6-10-21)13-27(40)37-23-15-26(31(32,33)34)30(42-3)36-17-23;1-3-34-22-18-9-16(11-28-20(18)13-30-22)15-6-4-14(5-7-15)8-21(32)31-17-10-19(24(25,26)27)23(33-2)29-12-17;1-3-22-16-14-8-12(17)9-18-15(14)20(19-16)10-11-4-6-13(21-2)7-5-11;1-20-11-4-2-9(3-5-11)8-18-13-12(14(19)17-18)6-10(15)7-16-13;8-4-1-5-6(9-2-4)3-10-7(5)11/h5-12,14-17H,4,13,18H2,1-3H3,(H,37,40);4-7,9-12H,3,8,13H2,1-2H3,(H,31,32);4-9H,3,10H2,1-2H3;2-7H,8H2,1H3,(H,17,19);1-2H,3H2,(H,10,11)
InChIKeyQRWQRTQAQRPQCA-UHFFFAOYSA-N
MW1971.47 g/mol
LogP18.09
Rot. Bonds24

About 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 160501841) has the molecular formula C92H82Br3F6N17O12 and a molecular weight of 1971.47 g/mol. Its IUPAC name is 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID160501841
Molecular FormulaC92H82Br3F6N17O12
Molecular Weight1971.47 g/mol
Exact Mass1967.38
IUPAC Name3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc21.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc12.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(Br)cc12.COc1ccc(Cn2[nH]c(=O)c3cc(Br)cnc32)cc1.O=C1NCc2ncc(Br)cc21
InChIInChI=1S/C31H28F3N5O4.C24H21F3N4O3.C16H16BrN3O2.C14H12BrN3O2.C7H5BrN2O/c1-4-43-29-25-14-22(16-35-28(25)39(38-29)18-20-7-11-24(41-2)12-8-20)21-9-5-19(6-10-21)13-27(40)37-23-15-26(31(32,33)34)30(42-3)36-17-23;1-3-34-22-18-9-16(11-28-20(18)13-30-22)15-6-4-14(5-7-15)8-21(32)31-17-10-19(24(25,26)27)23(33-2)29-12-17;1-3-22-16-14-8-12(17)9-18-15(14)20(19-16)10-11-4-6-13(21-2)7-5-11;1-20-11-4-2-9(3-5-11)8-18-13-12(14(19)17-18)6-10(15)7-16-13;8-4-1-5-6(9-2-4)3-10-7(5)11/h5-12,14-17H,4,13,18H2,1-3H3,(H,37,40);4-7,9-12H,3,8,13H2,1-2H3,(H,31,32);4-9H,3,10H2,1-2H3;2-7H,8H2,1H3,(H,17,19);1-2H,3H2,(H,10,11)
InChIKeyQRWQRTQAQRPQCA-UHFFFAOYSA-N
XLogP18.09
TPSA337.16 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.47
LogP ≤ 518.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
7-N-benzyl-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157920519
4-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate
CID 158048325
(1S,27R,30S)-21-acetyl-N-(6-bromo-3-methyl-2-pyridinyl)-18-(2-methylpyrimidin-5-yl)-25-oxo-3-oxa-22,23,26,32-tetrazahexacyclo[24.2.2.14,8.116,20.01,27.023,31]dotriaconta-4,6,8(32),10,16(31),17,19,21-octaene-30-carboxamide;(1S,28R,31S)-22-acetyl-N-(6-bromo-3-methyl-2-pyridinyl)-19-(2-methylpyrimidin-5-yl)-26-oxo-3-oxa-23,24,27-triazahexacyclo[25.2.2.15,9.117,21.01,28.024,32]tritriaconta-5,7,9(33),17(32),18,20,22-heptaene-31-carboxamide;(1R,22R,25S)-16-acetyl-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-9-oxa-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-6,11(26),12,14,16-pentaene-25-carboxamide;(1R,22R,25S)-13-(2-methylpyrimidin-5-yl)-25-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-16,25-dicarboxamide
CID 158094014
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-[3-(difluoromethoxy)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-(2-fluoro-3-methoxyphenyl)pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 158155254
2-(4-bromo-2,5-difluorophenyl)acetic acid;2-(4-bromo-2,5-difluorophenyl)-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;bis(1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine);6-methyl-5-(trifluoromethyl)pyridin-3-amine
CID 158182850
(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[3-(difluoromethoxy)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazole-3-carboxamide;bis(1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazole-3-carboxamide)
CID 158340927
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4,4-difluoropyrrolidine-2-carboxamide;(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(5-pyridin-3-yl-2H-triazol-4-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 159004708
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-4,5,6,7-tetrahydro-2H-indazol-3-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159143571
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 159182843

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 160501841) is 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is CCOC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc21.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(-c3ccc(CC(=O)Nc4cnc(OC)c(C(F)(F)F)c4)cc3)cc12.CCOc1nn(Cc2ccc(OC)cc2)c2ncc(Br)cc12.COc1ccc(Cn2[nH]c(=O)c3cc(Br)cnc32)cc1.O=C1NCc2ncc(Br)cc21.
What is the InChIKey of 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is QRWQRTQAQRPQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O4.C24H21F3N4O3.C16H16BrN3O2.C14H12BrN3O2.C7H5BrN2O/c1-4-43-29-25-14-22(16-35-28(25)39(38-29)18-20-7-11-24(41-2)12-8-20)21-9-5-19(6-10-21)13-27(40)37-23-15-26(31(32,33)34)30(42-3)36-17-23;1-3-34-22-18-9-16(11-28-20(18)13-30-22)15-6-4-14(5-7-15)8-21(32)31-17-10-19(24(25,26)27)23(33-2)29-12-17;1-3-22-16-14-8-12(17)9-18-15(14)20(19-16)10-11-4-6-13(21-2)7-5-11;1-20-11-4-2-9(3-5-11)8-18-13-12(14(19)17-18)6-10(15)7-16-13;8-4-1-5-6(9-2-4)3-10-7(5)11/h5-12,14-17H,4,13,18H2,1-3H3,(H,37,40);4-7,9-12H,3,8,13H2,1-2H3,(H,31,32);4-9H,3,10H2,1-2H3;2-7H,8H2,1H3,(H,17,19);1-2H,3H2,(H,10,11).
What are the key properties of 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 1971.47 g/mol, XLogP of 18.09, 24 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-bromo-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine;5-bromo-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one;2-[4-[3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-ethoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 160501841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).