4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one

C339H336ClF19N62O26S — CID 159898500

IUPAC4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one
SMILESCC1CCN(Cc2ccc3nc(NC(=O)c4ccc(F)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)CC1.CCC(=O)Nc1cc(Oc2cc(F)c(CC(=O)C3(C(=O)Cc4ccc(F)cc4)CC3)cc2F)ccn1.CCC(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.CCC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Cc3ccc(N4CCN(C)CC4)cc3)nc1-2.CCCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1.CN1C(=O)OC2(CC3OC2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O.CN1CCC(Nc2cc(N3CCN(C)CC3)ccc2C(=O)NC2=NCc3ccc(Cc4cc(F)cc(F)c4)cc32)CC1.CN1CCN(c2ccc(C(=O)NC3=NCc4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc3nc(C4=C(N)c5c(F)cccc5CC4=O)[nH]c3c2)CC1.COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1.Cc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1.Cc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C33H38F2N6O.C32H35F2N5O2.C32H26F2N4O3S.C31H40FN5O2.C28H20N4O5.C27H23F3N2O4.C27H34N6O.C26H26N6O3.C24H18ClF4NO3.C22H22FN5O.C22H20FN5.C19H19F2N5O.C16H15FN8/c1-39-9-7-27(8-10-39)37-31-20-28(41-13-11-40(2)12-14-41)5-6-29(31)33(42)38-32-30-18-22(3-4-24(30)21-36-32)15-23-16-25(34)19-26(35)17-23;1-38-8-10-39(11-9-38)27-4-5-28(30(19-27)36-26-6-12-41-13-7-26)32(40)37-31-29-17-21(2-3-23(29)20-35-31)14-22-15-24(33)18-25(34)16-22;1-2-3-19-4-10-24(36-18-19)28-17-25-29(42-28)27(12-15-35-25)41-26-11-9-22(16-23(26)34)38-31(40)32(13-14-32)30(39)37-21-7-5-20(33)6-8-21;1-20(2)33-29(38)24-7-11-26(12-8-24)37-28-18-22(19-36-16-14-21(3)15-17-36)4-13-27(28)34-31(37)35-30(39)23-5-9-25(32)10-6-23;1-27-28(25(34)30(2)26(35)37-28)11-18(36-27)31-16-9-5-3-7-13(16)20-21-15(12-29-24(21)33)19-14-8-4-6-10-17(14)32(27)23(19)22(20)31;1-2-26(35)32-25-14-19(7-10-31-25)36-22-15-20(29)17(12-21(22)30)13-24(34)27(8-9-27)23(33)11-16-3-5-18(28)6-4-16;1-6-21(34)25-23-26(32(5)30-25)24-19(16-27(23,2)3)17-28-22(29-24)15-18-7-9-20(10-8-18)33-13-11-31(4)12-14-33;1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17;1-2-23(32)22-13-18(7-8-30-22)33-17-5-4-15(21(26)12-17)11-16(31)9-14-3-6-20(25)19(10-14)24(27,28)29;1-27-7-9-28(10-8-27)14-5-6-16-17(12-14)26-22(25-16)20-18(29)11-13-3-2-4-15(23)19(13)21(20)24;1-15-5-2-8-18(25-15)20-14-24-21-10-11-22(26-28(20)21)27-12-4-9-19(27)16-6-3-7-17(23)13-16;1-2-18(27)23-15-11-22-26-9-7-17(24-19(15)26)25-8-3-4-16(25)13-10-12(20)5-6-14(13)21;1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-6,16-20,27,37H,7-15,21H2,1-2H3,(H,36,38,42);2-5,15-19,26,36H,6-14,20H2,1H3,(H,35,37,40);4-12,15-18H,2-3,13-14H2,1H3,(H,37,39)(H,38,40);4-6,9-10,13,18,20-21,24,26H,7-8,11-12,14-17,19H2,1-3H3,(H,33,38)(H,34,35,39);3-10,18H,11-12H2,1-2H3,(H,29,33);3-7,10,12,14-15H,2,8-9,11,13H2,1H3,(H,31,32,35);7-10,17H,6,11-16H2,1-5H3;4-13,15H,14,16H2,1-3H3,(H2,27,30);3-8,10,12-13H,2,9,11H2,1H3;2-6,12H,7-11,24H2,1H3,(H,25,26);2-3,5-8,10-11,13-14,19H,4,9,12H2,1H3;5-7,9-11,16H,2-4,8H2,1H3,(H,23,27);3-8,10H,1-2H3,(H,21,22)(H,23,24)/t;;;;;;;;;;19-;16-;10-/m..........110/s1
InChIKeyNVQQWCSENCIHOV-YHKPXFDMSA-N
MW6123.31 g/mol
LogP59.76
Rot. Bonds72

About 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one

4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one (PubChem CID 159898500) has the molecular formula C339H336ClF19N62O26S and a molecular weight of 6123.31 g/mol. Its IUPAC name is 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one.

Molecular Properties

Compound Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one
PubChem CID159898500
Molecular FormulaC339H336ClF19N62O26S
Molecular Weight6123.31 g/mol
Exact Mass6118.60
IUPAC Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one
SMILESCC1CCN(Cc2ccc3nc(NC(=O)c4ccc(F)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)CC1.CCC(=O)Nc1cc(Oc2cc(F)c(CC(=O)C3(C(=O)Cc4ccc(F)cc4)CC3)cc2F)ccn1.CCC(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.CCC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Cc3ccc(N4CCN(C)CC4)cc3)nc1-2.CCCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1.CN1C(=O)OC2(CC3OC2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O.CN1CCC(Nc2cc(N3CCN(C)CC3)ccc2C(=O)NC2=NCc3ccc(Cc4cc(F)cc(F)c4)cc32)CC1.CN1CCN(c2ccc(C(=O)NC3=NCc4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc3nc(C4=C(N)c5c(F)cccc5CC4=O)[nH]c3c2)CC1.COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1.Cc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1.Cc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)n1
InChIInChI=1S/C33H38F2N6O.C32H35F2N5O2.C32H26F2N4O3S.C31H40FN5O2.C28H20N4O5.C27H23F3N2O4.C27H34N6O.C26H26N6O3.C24H18ClF4NO3.C22H22FN5O.C22H20FN5.C19H19F2N5O.C16H15FN8/c1-39-9-7-27(8-10-39)37-31-20-28(41-13-11-40(2)12-14-41)5-6-29(31)33(42)38-32-30-18-22(3-4-24(30)21-36-32)15-23-16-25(34)19-26(35)17-23;1-38-8-10-39(11-9-38)27-4-5-28(30(19-27)36-26-6-12-41-13-7-26)32(40)37-31-29-17-21(2-3-23(29)20-35-31)14-22-15-24(33)18-25(34)16-22;1-2-3-19-4-10-24(36-18-19)28-17-25-29(42-28)27(12-15-35-25)41-26-11-9-22(16-23(26)34)38-31(40)32(13-14-32)30(39)37-21-7-5-20(33)6-8-21;1-20(2)33-29(38)24-7-11-26(12-8-24)37-28-18-22(19-36-16-14-21(3)15-17-36)4-13-27(28)34-31(37)35-30(39)23-5-9-25(32)10-6-23;1-27-28(25(34)30(2)26(35)37-28)11-18(36-27)31-16-9-5-3-7-13(16)20-21-15(12-29-24(21)33)19-14-8-4-6-10-17(14)32(27)23(19)22(20)31;1-2-26(35)32-25-14-19(7-10-31-25)36-22-15-20(29)17(12-21(22)30)13-24(34)27(8-9-27)23(33)11-16-3-5-18(28)6-4-16;1-6-21(34)25-23-26(32(5)30-25)24-19(16-27(23,2)3)17-28-22(29-24)15-18-7-9-20(10-8-18)33-13-11-31(4)12-14-33;1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17;1-2-23(32)22-13-18(7-8-30-22)33-17-5-4-15(21(26)12-17)11-16(31)9-14-3-6-20(25)19(10-14)24(27,28)29;1-27-7-9-28(10-8-27)14-5-6-16-17(12-14)26-22(25-16)20-18(29)11-13-3-2-4-15(23)19(13)21(20)24;1-15-5-2-8-18(25-15)20-14-24-21-10-11-22(26-28(20)21)27-12-4-9-19(27)16-6-3-7-17(23)13-16;1-2-18(27)23-15-11-22-26-9-7-17(24-19(15)26)25-8-3-4-16(25)13-10-12(20)5-6-14(13)21;1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-6,16-20,27,37H,7-15,21H2,1-2H3,(H,36,38,42);2-5,15-19,26,36H,6-14,20H2,1H3,(H,35,37,40);4-12,15-18H,2-3,13-14H2,1H3,(H,37,39)(H,38,40);4-6,9-10,13,18,20-21,24,26H,7-8,11-12,14-17,19H2,1-3H3,(H,33,38)(H,34,35,39);3-10,18H,11-12H2,1-2H3,(H,29,33);3-7,10,12,14-15H,2,8-9,11,13H2,1H3,(H,31,32,35);7-10,17H,6,11-16H2,1-5H3;4-13,15H,14,16H2,1-3H3,(H2,27,30);3-8,10,12-13H,2,9,11H2,1H3;2-6,12H,7-11,24H2,1H3,(H,25,26);2-3,5-8,10-11,13-14,19H,4,9,12H2,1H3;5-7,9-11,16H,2-4,8H2,1H3,(H,23,27);3-8,10H,1-2H3,(H,21,22)(H,23,24)/t;;;;;;;;;;19-;16-;10-/m..........110/s1
InChIKeyNVQQWCSENCIHOV-YHKPXFDMSA-N
XLogP59.76
TPSA994.99 Ų
H-Bond Donors16
H-Bond Acceptors77
Rotatable Bonds72
Heavy Atoms448
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006123.31
LogP ≤ 559.76
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1077

Analyze 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one?
The IUPAC name of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one (CID 159898500) is 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one.
What is the SMILES notation for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one?
The canonical SMILES for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one is CC1CCN(Cc2ccc3nc(NC(=O)c4ccc(F)cc4)n(C4CCC(C(=O)NC(C)C)CC4)c3c2)CC1.CCC(=O)Nc1cc(Oc2cc(F)c(CC(=O)C3(C(=O)Cc4ccc(F)cc4)CC3)cc2F)ccn1.CCC(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCC(=O)c1cc(Oc2ccc(CC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.CCC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Cc3ccc(N4CCN(C)CC4)cc3)nc1-2.CCCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1.CN1C(=O)OC2(CC3OC2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O.CN1CCC(Nc2cc(N3CCN(C)CC3)ccc2C(=O)NC2=NCc3ccc(Cc4cc(F)cc(F)c4)cc32)CC1.CN1CCN(c2ccc(C(=O)NC3=NCc4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc3nc(C4=C(N)c5c(F)cccc5CC4=O)[nH]c3c2)CC1.COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1.Cc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1.Cc1cccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)n1.
What is the InChIKey of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one?
The InChIKey is NVQQWCSENCIHOV-YHKPXFDMSA-N. The full InChI is InChI=1S/C33H38F2N6O.C32H35F2N5O2.C32H26F2N4O3S.C31H40FN5O2.C28H20N4O5.C27H23F3N2O4.C27H34N6O.C26H26N6O3.C24H18ClF4NO3.C22H22FN5O.C22H20FN5.C19H19F2N5O.C16H15FN8/c1-39-9-7-27(8-10-39)37-31-20-28(41-13-11-40(2)12-14-41)5-6-29(31)33(42)38-32-30-18-22(3-4-24(30)21-36-32)15-23-16-25(34)19-26(35)17-23;1-38-8-10-39(11-9-38)27-4-5-28(30(19-27)36-26-6-12-41-13-7-26)32(40)37-31-29-17-21(2-3-23(29)20-35-31)14-22-15-24(33)18-25(34)16-22;1-2-3-19-4-10-24(36-18-19)28-17-25-29(42-28)27(12-15-35-25)41-26-11-9-22(16-23(26)34)38-31(40)32(13-14-32)30(39)37-21-7-5-20(33)6-8-21;1-20(2)33-29(38)24-7-11-26(12-8-24)37-28-18-22(19-36-16-14-21(3)15-17-36)4-13-27(28)34-31(37)35-30(39)23-5-9-25(32)10-6-23;1-27-28(25(34)30(2)26(35)37-28)11-18(36-27)31-16-9-5-3-7-13(16)20-21-15(12-29-24(21)33)19-14-8-4-6-10-17(14)32(27)23(19)22(20)31;1-2-26(35)32-25-14-19(7-10-31-25)36-22-15-20(29)17(12-21(22)30)13-24(34)27(8-9-27)23(33)11-16-3-5-18(28)6-4-16;1-6-21(34)25-23-26(32(5)30-25)24-19(16-27(23,2)3)17-28-22(29-24)15-18-7-9-20(10-8-18)33-13-11-31(4)12-14-33;1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17;1-2-23(32)22-13-18(7-8-30-22)33-17-5-4-15(21(26)12-17)11-16(31)9-14-3-6-20(25)19(10-14)24(27,28)29;1-27-7-9-28(10-8-27)14-5-6-16-17(12-14)26-22(25-16)20-18(29)11-13-3-2-4-15(23)19(13)21(20)24;1-15-5-2-8-18(25-15)20-14-24-21-10-11-22(26-28(20)21)27-12-4-9-19(27)16-6-3-7-17(23)13-16;1-2-18(27)23-15-11-22-26-9-7-17(24-19(15)26)25-8-3-4-16(25)13-10-12(20)5-6-14(13)21;1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-6,16-20,27,37H,7-15,21H2,1-2H3,(H,36,38,42);2-5,15-19,26,36H,6-14,20H2,1H3,(H,35,37,40);4-12,15-18H,2-3,13-14H2,1H3,(H,37,39)(H,38,40);4-6,9-10,13,18,20-21,24,26H,7-8,11-12,14-17,19H2,1-3H3,(H,33,38)(H,34,35,39);3-10,18H,11-12H2,1-2H3,(H,29,33);3-7,10,12,14-15H,2,8-9,11,13H2,1H3,(H,31,32,35);7-10,17H,6,11-16H2,1-5H3;4-13,15H,14,16H2,1-3H3,(H2,27,30);3-8,10,12-13H,2,9,11H2,1H3;2-6,12H,7-11,24H2,1H3,(H,25,26);2-3,5-8,10-11,13-14,19H,4,9,12H2,1H3;5-7,9-11,16H,2-4,8H2,1H3,(H,23,27);3-8,10H,1-2H3,(H,21,22)(H,23,24)/t;;;;;;;;;;19-;16-;10-/m..........110/s1.
What are the key properties of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one?
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one has a molecular weight of 6123.31 g/mol, XLogP of 59.76, 72 rotatable bonds, 16 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-naphthalen-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]propan-2-one;N-[4-[2,5-difluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]propanamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide;N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;3,15'-dimethylspiro[1,3-oxazolidine-5,16'-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene]-2,3',4-trione;4-fluoro-N-[6-[(4-methylpiperidin-1-yl)methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[2-(5-propyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine;N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine;3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;1-[1,4,4-trimethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5H-pyrazolo[4,5-h]quinazolin-3-yl]propan-1-one is sourced from PubChem (CID 159898500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).