2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone

C165H158F4N46O9 — CID 158423723

IUPAC2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
SMILESCCOc1ncc(-c2nc3ncc(CC(=O)c4n[nH]c(C)c4C)cc3[nH]2)cn1.CCc1cc(C(=O)Cc2cnc3[nH]c(-c4ccc(C)cc4)cc3c2)n[nH]1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C(C)C)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(N5CCCCC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(NC5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3nc(-c4ccccc4F)[nH]c3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4cc(C(F)(F)F)[nH]n4)cnc3[nH]2)cc1
InChIInChI=1S/C23H25N7O.C21H21N7O.C21H20N6O.C21H22N6O.C21H20N4O.C20H15F3N4O.C19H16FN5O.C19H19N7O2/c1-14-15(2)28-29-21(14)20(31)9-16-8-17-10-19(27-22(17)24-11-16)18-12-25-23(26-13-18)30-6-4-3-5-7-30;1-11-12(2)27-28-19(11)18(29)6-13-5-14-7-17(26-20(14)22-8-13)15-9-23-21(24-10-15)25-16-3-4-16;1-11-12(2)26-27-19(11)18(28)6-13-5-15-7-17(25-21(15)22-8-13)16-9-23-20(24-10-16)14-3-4-14;1-11(2)20-23-9-16(10-24-20)17-7-15-5-14(8-22-21(15)25-17)6-18(28)19-12(3)13(4)26-27-19;1-3-17-11-19(25-24-17)20(26)9-14-8-16-10-18(23-21(16)22-12-14)15-6-4-13(2)5-7-15;1-11-2-4-13(5-3-11)15-8-14-6-12(10-24-19(14)25-15)7-17(28)16-9-18(27-26-16)20(21,22)23;1-10-11(2)24-25-17(10)16(26)8-12-7-15-19(21-9-12)23-18(22-15)13-5-3-4-6-14(13)20;1-4-28-19-21-8-13(9-22-19)17-23-14-5-12(7-20-18(14)24-17)6-15(27)16-10(2)11(3)25-26-16/h8,10-13H,3-7,9H2,1-2H3,(H,24,27)(H,28,29);5,7-10,16H,3-4,6H2,1-2H3,(H,22,26)(H,27,28)(H,23,24,25);5,7-10,14H,3-4,6H2,1-2H3,(H,22,25)(H,26,27);5,7-11H,6H2,1-4H3,(H,22,25)(H,26,27);4-8,10-12H,3,9H2,1-2H3,(H,22,23)(H,24,25);2-6,8-10H,7H2,1H3,(H,24,25)(H,26,27);3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23);5,7-9H,4,6H2,1-3H3,(H,25,26)(H,20,23,24)
InChIKeyHAUHYWNSYVLECX-UHFFFAOYSA-N
MW3005.38 g/mol
LogP29.77
Rot. Bonds40

About 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone

2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone (PubChem CID 158423723) has the molecular formula C165H158F4N46O9 and a molecular weight of 3005.38 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
PubChem CID158423723
Molecular FormulaC165H158F4N46O9
Molecular Weight3005.38 g/mol
Exact Mass3003.33
IUPAC Name2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
SMILESCCOc1ncc(-c2nc3ncc(CC(=O)c4n[nH]c(C)c4C)cc3[nH]2)cn1.CCc1cc(C(=O)Cc2cnc3[nH]c(-c4ccc(C)cc4)cc3c2)n[nH]1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C(C)C)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(N5CCCCC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(NC5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3nc(-c4ccccc4F)[nH]c3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4cc(C(F)(F)F)[nH]n4)cnc3[nH]2)cc1
InChIInChI=1S/C23H25N7O.C21H21N7O.C21H20N6O.C21H22N6O.C21H20N4O.C20H15F3N4O.C19H16FN5O.C19H19N7O2/c1-14-15(2)28-29-21(14)20(31)9-16-8-17-10-19(27-22(17)24-11-16)18-12-25-23(26-13-18)30-6-4-3-5-7-30;1-11-12(2)27-28-19(11)18(29)6-13-5-14-7-17(26-20(14)22-8-13)15-9-23-21(24-10-15)25-16-3-4-16;1-11-12(2)26-27-19(11)18(28)6-13-5-15-7-17(25-21(15)22-8-13)16-9-23-20(24-10-16)14-3-4-14;1-11(2)20-23-9-16(10-24-20)17-7-15-5-14(8-22-21(15)25-17)6-18(28)19-12(3)13(4)26-27-19;1-3-17-11-19(25-24-17)20(26)9-14-8-16-10-18(23-21(16)22-12-14)15-6-4-13(2)5-7-15;1-11-2-4-13(5-3-11)15-8-14-6-12(10-24-19(14)25-15)7-17(28)16-9-18(27-26-16)20(21,22)23;1-10-11(2)24-25-17(10)16(26)8-12-7-15-19(21-9-12)23-18(22-15)13-5-3-4-6-14(13)20;1-4-28-19-21-8-13(9-22-19)17-23-14-5-12(7-20-18(14)24-17)6-15(27)16-10(2)11(3)25-26-16/h8,10-13H,3-7,9H2,1-2H3,(H,24,27)(H,28,29);5,7-10,16H,3-4,6H2,1-2H3,(H,22,26)(H,27,28)(H,23,24,25);5,7-10,14H,3-4,6H2,1-2H3,(H,22,25)(H,26,27);5,7-11H,6H2,1-4H3,(H,22,25)(H,26,27);4-8,10-12H,3,9H2,1-2H3,(H,22,23)(H,24,25);2-6,8-10H,7H2,1H3,(H,24,25)(H,26,27);3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23);5,7-9H,4,6H2,1-3H3,(H,25,26)(H,20,23,24)
InChIKeyHAUHYWNSYVLECX-UHFFFAOYSA-N
XLogP29.77
TPSA774.62 Ų
H-Bond Donors17
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003005.38
LogP ≤ 529.77
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1039

Analyze 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone with MolForge

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Related Compounds

N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-4-yl]-2-methylpropanamide
CID 145664898
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157052033
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
[4-[8-tert-butyl-6-(4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyl-1H-imidazol-5-yl)piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
CID 157222251

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone (CID 158423723) is 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone is CCOc1ncc(-c2nc3ncc(CC(=O)c4n[nH]c(C)c4C)cc3[nH]2)cn1.CCc1cc(C(=O)Cc2cnc3[nH]c(-c4ccc(C)cc4)cc3c2)n[nH]1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C(C)C)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(C5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(N5CCCCC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cnc(NC5CC5)nc4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3nc(-c4ccccc4F)[nH]c3c2)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4cc(C(F)(F)F)[nH]n4)cnc3[nH]2)cc1.
What is the InChIKey of 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
The InChIKey is HAUHYWNSYVLECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C21H21N7O.C21H20N6O.C21H22N6O.C21H20N4O.C20H15F3N4O.C19H16FN5O.C19H19N7O2/c1-14-15(2)28-29-21(14)20(31)9-16-8-17-10-19(27-22(17)24-11-16)18-12-25-23(26-13-18)30-6-4-3-5-7-30;1-11-12(2)27-28-19(11)18(29)6-13-5-14-7-17(26-20(14)22-8-13)15-9-23-21(24-10-15)25-16-3-4-16;1-11-12(2)26-27-19(11)18(28)6-13-5-15-7-17(25-21(15)22-8-13)16-9-23-20(24-10-16)14-3-4-14;1-11(2)20-23-9-16(10-24-20)17-7-15-5-14(8-22-21(15)25-17)6-18(28)19-12(3)13(4)26-27-19;1-3-17-11-19(25-24-17)20(26)9-14-8-16-10-18(23-21(16)22-12-14)15-6-4-13(2)5-7-15;1-11-2-4-13(5-3-11)15-8-14-6-12(10-24-19(14)25-15)7-17(28)16-9-18(27-26-16)20(21,22)23;1-10-11(2)24-25-17(10)16(26)8-12-7-15-19(21-9-12)23-18(22-15)13-5-3-4-6-14(13)20;1-4-28-19-21-8-13(9-22-19)17-23-14-5-12(7-20-18(14)24-17)6-15(27)16-10(2)11(3)25-26-16/h8,10-13H,3-7,9H2,1-2H3,(H,24,27)(H,28,29);5,7-10,16H,3-4,6H2,1-2H3,(H,22,26)(H,27,28)(H,23,24,25);5,7-10,14H,3-4,6H2,1-2H3,(H,22,25)(H,26,27);5,7-11H,6H2,1-4H3,(H,22,25)(H,26,27);4-8,10-12H,3,9H2,1-2H3,(H,22,23)(H,24,25);2-6,8-10H,7H2,1H3,(H,24,25)(H,26,27);3-7,9H,8H2,1-2H3,(H,24,25)(H,21,22,23);5,7-9H,4,6H2,1-3H3,(H,25,26)(H,20,23,24).
What are the key properties of 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone?
2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone has a molecular weight of 3005.38 g/mol, XLogP of 29.77, 40 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylamino)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-ethoxypyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-propan-2-ylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 158423723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).