N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C144H97ClF6N32O20S — CID 162059331

IUPACN-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)n1.O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccc2c(c1)OCO2)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccccc1C(F)(F)F)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2cc(Cl)ccc2o1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2ccccc2s1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nccnn1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)n1ccnc1
InChIInChI=1S/C20H14F3N3O2.C19H11ClN4O3.C19H12F3N3O2.C19H12N4O2S.C19H13N3O4.C18H15N5O3.C15H10N6O2.C15H10N4O2/c21-20(22,23)15-3-1-12(2-4-15)8-26-19(27)14-7-16-17(13-5-6-28-11-13)10-25-18(16)24-9-14;20-12-1-2-16-15(6-12)23-19(27-16)24-18(25)11-5-13-14(10-3-4-26-9-10)8-22-17(13)21-7-11;20-19(21,22)15-3-1-2-4-16(15)25-18(26)12-7-13-14(11-5-6-27-10-11)9-24-17(13)23-8-12;24-18(23-19-22-15-3-1-2-4-16(15)26-19)12-7-13-14(11-5-6-25-10-11)9-21-17(13)20-8-12;23-19(22-13-1-2-16-17(6-13)26-10-25-16)12-5-14-15(11-3-4-24-9-11)8-21-18(14)20-7-12;1-10-5-15(25-2)22-18(21-10)23-17(24)12-6-13-14(11-3-4-26-9-11)8-20-16(13)19-7-12;22-14(20-15-16-2-3-19-21-15)10-5-11-12(9-1-4-23-8-9)7-18-13(11)17-6-10;20-15(19-3-2-16-9-19)11-5-12-13(10-1-4-21-8-10)7-18-14(12)17-6-11/h1-7,9-11H,8H2,(H,24,25)(H,26,27);1-9H,(H,21,22)(H,23,24,25);1-10H,(H,23,24)(H,25,26);1-10H,(H,20,21)(H,22,23,24);1-9H,10H2,(H,20,21)(H,22,23);3-9H,1-2H3,(H,19,20)(H,21,22,23,24);1-8H,(H,17,18)(H,16,20,21,22);1-9H,(H,17,18)
InChIKeyYZPPOBUEBIDZBL-UHFFFAOYSA-N
MW2777.07 g/mol
LogP31.37
Rot. Bonds25

About N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 162059331) has the molecular formula C144H97ClF6N32O20S and a molecular weight of 2777.07 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID162059331
Molecular FormulaC144H97ClF6N32O20S
Molecular Weight2777.07 g/mol
Exact Mass2774.69
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)n1.O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccc2c(c1)OCO2)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccccc1C(F)(F)F)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2cc(Cl)ccc2o1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2ccccc2s1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nccnn1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)n1ccnc1
InChIInChI=1S/C20H14F3N3O2.C19H11ClN4O3.C19H12F3N3O2.C19H12N4O2S.C19H13N3O4.C18H15N5O3.C15H10N6O2.C15H10N4O2/c21-20(22,23)15-3-1-12(2-4-15)8-26-19(27)14-7-16-17(13-5-6-28-11-13)10-25-18(16)24-9-14;20-12-1-2-16-15(6-12)23-19(27-16)24-18(25)11-5-13-14(10-3-4-26-9-10)8-22-17(13)21-7-11;20-19(21,22)15-3-1-2-4-16(15)25-18(26)12-7-13-14(11-5-6-27-10-11)9-24-17(13)23-8-12;24-18(23-19-22-15-3-1-2-4-16(15)26-19)12-7-13-14(11-5-6-25-10-11)9-21-17(13)20-8-12;23-19(22-13-1-2-16-17(6-13)26-10-25-16)12-5-14-15(11-3-4-24-9-11)8-21-18(14)20-7-12;1-10-5-15(25-2)22-18(21-10)23-17(24)12-6-13-14(11-3-4-26-9-11)8-20-16(13)19-7-12;22-14(20-15-16-2-3-19-21-15)10-5-11-12(9-1-4-23-8-9)7-18-13(11)17-6-10;20-15(19-3-2-16-9-19)11-5-12-13(10-1-4-21-8-10)7-18-14(12)17-6-11/h1-7,9-11H,8H2,(H,24,25)(H,26,27);1-9H,(H,21,22)(H,23,24,25);1-10H,(H,23,24)(H,25,26);1-10H,(H,20,21)(H,22,23,24);1-9H,10H2,(H,20,21)(H,22,23);3-9H,1-2H3,(H,19,20)(H,21,22,23,24);1-8H,(H,17,18)(H,16,20,21,22);1-9H,(H,17,18)
InChIKeyYZPPOBUEBIDZBL-UHFFFAOYSA-N
XLogP31.37
TPSA704.21 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002777.07
LogP ≤ 531.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;2,6-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]benzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
CID 157859725
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184
bis(2-tert-butyl-1,3-benzothiazole);tris(2-tert-butyl-1,3-benzoxazole);6-tert-butyl-7H-[1,3]dioxolo[4,5-f]indole;3-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3H-indole);2-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;2-tert-butyl-3H-pyrrolo[2,3-b]pyridine;3-tert-butylquinazolin-4-one;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 157452429
5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;4-[7-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]morpholine;6-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine
CID 159011534
1-(3-Chlorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-(3,5-difluorophenyl)-3-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea;ethyl 7-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinoline-3-carboxylate;1-(3-fluorophenyl)-3-[5-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]-3-phenylurea
CID 162185995
2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride
CID 167681319

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 162059331) is N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is COc1cc(C)nc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)n1.O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccc2c(c1)OCO2)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1ccccc1C(F)(F)F)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2cc(Cl)ccc2o1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nc2ccccc2s1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1nccnn1)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)n1ccnc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is YZPPOBUEBIDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2.C19H11ClN4O3.C19H12F3N3O2.C19H12N4O2S.C19H13N3O4.C18H15N5O3.C15H10N6O2.C15H10N4O2/c21-20(22,23)15-3-1-12(2-4-15)8-26-19(27)14-7-16-17(13-5-6-28-11-13)10-25-18(16)24-9-14;20-12-1-2-16-15(6-12)23-19(27-16)24-18(25)11-5-13-14(10-3-4-26-9-10)8-22-17(13)21-7-11;20-19(21,22)15-3-1-2-4-16(15)25-18(26)12-7-13-14(11-5-6-27-10-11)9-24-17(13)23-8-12;24-18(23-19-22-15-3-1-2-4-16(15)26-19)12-7-13-14(11-5-6-25-10-11)9-21-17(13)20-8-12;23-19(22-13-1-2-16-17(6-13)26-10-25-16)12-5-14-15(11-3-4-24-9-11)8-21-18(14)20-7-12;1-10-5-15(25-2)22-18(21-10)23-17(24)12-6-13-14(11-3-4-26-9-11)8-20-16(13)19-7-12;22-14(20-15-16-2-3-19-21-15)10-5-11-12(9-1-4-23-8-9)7-18-13(11)17-6-10;20-15(19-3-2-16-9-19)11-5-12-13(10-1-4-21-8-10)7-18-14(12)17-6-11/h1-7,9-11H,8H2,(H,24,25)(H,26,27);1-9H,(H,21,22)(H,23,24,25);1-10H,(H,23,24)(H,25,26);1-10H,(H,20,21)(H,22,23,24);1-9H,10H2,(H,20,21)(H,22,23);3-9H,1-2H3,(H,19,20)(H,21,22,23,24);1-8H,(H,17,18)(H,16,20,21,22);1-9H,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2777.07 g/mol, XLogP of 31.37, 25 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(5-chloro-1,3-benzoxazol-2-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-imidazol-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 162059331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).