N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

C212H228Cl3F8N61O27 — CID 167687895

IUPACN-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1.CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ncc(Oc5ccnc(NC(C)=O)c5)c(Cl)c4n3C)cc2C(F)(F)F)CC1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CC(CO)(CO)C4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C)cn(C)c3=O)n(C)c12.Cn1c(Nc2cn(C3CCC3)c([C@@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1c(Nc2cn(C3CCC3)c([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C30H38N8O5.C28H30ClF3N8O2.C27H28ClF3N8O4.2C27H30N8O3.C26H25F2N7O3.C24H25N7O4.C23H22ClN7O3/c1-29(2,3)21-11-23(36-38(21)18-12-30(13-18,15-39)16-40)34-28-35-26-24(37(28)4)25(42-5)20(14-32-26)43-19-8-9-31-22(10-19)33-27(41)17-6-7-17;1-4-39-9-11-40(12-10-39)16-18-5-6-19(13-21(18)28(30,31)32)36-27-37-26-25(38(27)3)24(29)22(15-34-26)42-20-7-8-33-23(14-20)35-17(2)41;1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38;2*1-34-21-11-20(38-19-7-9-28-22(12-19)31-26(36)16-5-6-16)13-29-24(21)33-27(34)32-23-14-35(18-3-2-4-18)25(30-23)17-8-10-37-15-17;1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14;1-13-9-16(23(33)30(2)12-13)27-24-29-21-19(31(24)3)20(34-4)17(11-26-21)35-15-7-8-25-18(10-15)28-22(32)14-5-6-14;1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h8-11,14,17-18,39-40H,6-7,12-13,15-16H2,1-5H3,(H,31,33,41)(H,32,34,35,36);5-8,13-15H,4,9-12,16H2,1-3H3,(H,33,35,41)(H,34,36,37);4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36);2*7,9,11-14,16-18H,2-6,8,10,15H2,1H3,(H,28,31,36)(H,29,32,33);7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33);7-12,14H,5-6H2,1-4H3,(H,25,28,32)(H,26,27,29);6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29)/t;;;2*17-;;;/m...10.../s1
InChIKeyWMFUXCVKJJKABU-LKMSJTSXSA-N
MW4320.90 g/mol
LogP35.60
Rot. Bonds64

About N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167687895) has the molecular formula C212H228Cl3F8N61O27 and a molecular weight of 4320.90 g/mol. Its IUPAC name is N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167687895
Molecular FormulaC212H228Cl3F8N61O27
Molecular Weight4320.90 g/mol
Exact Mass4316.73
IUPAC NameN-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1.CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ncc(Oc5ccnc(NC(C)=O)c5)c(Cl)c4n3C)cc2C(F)(F)F)CC1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CC(CO)(CO)C4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C)cn(C)c3=O)n(C)c12.Cn1c(Nc2cn(C3CCC3)c([C@@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1c(Nc2cn(C3CCC3)c([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C30H38N8O5.C28H30ClF3N8O2.C27H28ClF3N8O4.2C27H30N8O3.C26H25F2N7O3.C24H25N7O4.C23H22ClN7O3/c1-29(2,3)21-11-23(36-38(21)18-12-30(13-18,15-39)16-40)34-28-35-26-24(37(28)4)25(42-5)20(14-32-26)43-19-8-9-31-22(10-19)33-27(41)17-6-7-17;1-4-39-9-11-40(12-10-39)16-18-5-6-19(13-21(18)28(30,31)32)36-27-37-26-25(38(27)3)24(29)22(15-34-26)42-20-7-8-33-23(14-20)35-17(2)41;1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38;2*1-34-21-11-20(38-19-7-9-28-22(12-19)31-26(36)16-5-6-16)13-29-24(21)33-27(34)32-23-14-35(18-3-2-4-18)25(30-23)17-8-10-37-15-17;1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14;1-13-9-16(23(33)30(2)12-13)27-24-29-21-19(31(24)3)20(34-4)17(11-26-21)35-15-7-8-25-18(10-15)28-22(32)14-5-6-14;1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h8-11,14,17-18,39-40H,6-7,12-13,15-16H2,1-5H3,(H,31,33,41)(H,32,34,35,36);5-8,13-15H,4,9-12,16H2,1-3H3,(H,33,35,41)(H,34,36,37);4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36);2*7,9,11-14,16-18H,2-6,8,10,15H2,1H3,(H,28,31,36)(H,29,32,33);7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33);7-12,14H,5-6H2,1-4H3,(H,25,28,32)(H,26,27,29);6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29)/t;;;2*17-;;;/m...10.../s1
InChIKeyWMFUXCVKJJKABU-LKMSJTSXSA-N
XLogP35.60
TPSA989.47 Ų
H-Bond Donors18
H-Bond Acceptors80
Rotatable Bonds64
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004320.90
LogP ≤ 535.60
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1080

Analyze N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide with MolForge

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What is the IUPAC name of N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide (CID 167687895) is N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1.CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1.CCN1CCN(Cc2ccc(Nc3nc4ncc(Oc5ccnc(NC(C)=O)c5)c(Cl)c4n3C)cc2C(F)(F)F)CC1.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C(C)(C)C)n(C4CC(CO)(CO)C4)n3)n(C)c12.COc1c(Oc2ccnc(NC(=O)C3CC3)c2)cnc2nc(Nc3cc(C)cn(C)c3=O)n(C)c12.Cn1c(Nc2cn(C3CCC3)c([C@@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1c(Nc2cn(C3CCC3)c([C@H]3CCOC3)n2)nc2ncc(Oc3ccnc(NC(=O)C4CC4)c3)cc21.Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O.
What is the InChIKey of N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WMFUXCVKJJKABU-LKMSJTSXSA-N. The full InChI is InChI=1S/C30H38N8O5.C28H30ClF3N8O2.C27H28ClF3N8O4.2C27H30N8O3.C26H25F2N7O3.C24H25N7O4.C23H22ClN7O3/c1-29(2,3)21-11-23(36-38(21)18-12-30(13-18,15-39)16-40)34-28-35-26-24(37(28)4)25(42-5)20(14-32-26)43-19-8-9-31-22(10-19)33-27(41)17-6-7-17;1-4-39-9-11-40(12-10-39)16-18-5-6-19(13-21(18)28(30,31)32)36-27-37-26-25(38(27)3)24(29)22(15-34-26)42-20-7-8-33-23(14-20)35-17(2)41;1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38;2*1-34-21-11-20(38-19-7-9-28-22(12-19)31-26(36)16-5-6-16)13-29-24(21)33-27(34)32-23-14-35(18-3-2-4-18)25(30-23)17-8-10-37-15-17;1-34-12-15(13-3-4-13)9-17(25(34)37)31-26-33-23-21(35(26)2)20(22(27)28)18(11-30-23)38-16-7-8-29-19(10-16)32-24(36)14-5-6-14;1-13-9-16(23(33)30(2)12-13)27-24-29-21-19(31(24)3)20(34-4)17(11-26-21)35-15-7-8-25-18(10-15)28-22(32)14-5-6-14;1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h8-11,14,17-18,39-40H,6-7,12-13,15-16H2,1-5H3,(H,31,33,41)(H,32,34,35,36);5-8,13-15H,4,9-12,16H2,1-3H3,(H,33,35,41)(H,34,36,37);4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36);2*7,9,11-14,16-18H,2-6,8,10,15H2,1H3,(H,28,31,36)(H,29,32,33);7-14,22H,3-6H2,1-2H3,(H,29,32,36)(H,30,31,33);7-12,14H,5-6H2,1-4H3,(H,25,28,32)(H,26,27,29);6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29)/t;;;2*17-;;;/m...10.../s1.
What are the key properties of N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 4320.90 g/mol, XLogP of 35.60, 64 rotatable bonds, 18 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-[3,3-bis(hydroxymethyl)cyclobutyl]-5-tert-butylpyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[[1-cyclobutyl-2-[(3R)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[[1-cyclobutyl-2-[(3S)-oxolan-3-yl]imidazol-4-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167687895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).