7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one

C165H140ClF14N13O11S — CID 158178798

IUPAC7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESCCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(OC)c(OCc4ccccc4)cc23)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NS(C)(=O)=O)cc23)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(=O)[nH]c21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C39H35F2N3O3.C32H25F6N3O.C32H30F2N4O3S.C32H27F2NO2.C30H23ClF2N2O2/c1-3-25-11-13-28(14-12-25)32-10-7-15-42-39(32)35(18-27-16-30(40)20-31(41)17-27)44-38(45)19-29-23-43-34-22-36(46-2)37(21-33(29)34)47-24-26-8-5-4-6-9-26;1-2-18-5-7-20(8-6-18)24-4-3-11-39-30(24)28(14-19-12-22(34)15-23(35)13-19)41-31(42)29(32(36,37)38)26-17-40-27-10-9-21(33)16-25(26)27;1-3-20-6-8-22(9-7-20)27-5-4-12-35-32(27)30(15-21-13-24(33)17-25(34)14-21)37-31(39)16-23-19-36-29-11-10-26(18-28(23)29)38-42(2,40)41;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;31-23-8-5-19(6-9-23)27-2-1-11-34-30(27)22(12-18-13-24(32)17-25(33)14-18)16-26(36)15-21-4-3-20-7-10-28(37)35-29(20)21/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);3-13,15-17,28-29,40H,2,14H2,1H3,(H,41,42);4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;1-2,4-11,13-14,17,22H,3,12,15-16H2,(H,35,37)/t35-;28-,29?;30-;25-;22-/m00011/s1
InChIKeyFYIBLAPRDNDIRM-BUVXQTIWSA-N
MW2814.51 g/mol
LogP36.38
Rot. Bonds46

About 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one

7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 158178798) has the molecular formula C165H140ClF14N13O11S and a molecular weight of 2814.51 g/mol. Its IUPAC name is 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID158178798
Molecular FormulaC165H140ClF14N13O11S
Molecular Weight2814.51 g/mol
Exact Mass2812.00
IUPAC Name7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESCCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(OC)c(OCc4ccccc4)cc23)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NS(C)(=O)=O)cc23)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(=O)[nH]c21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C39H35F2N3O3.C32H25F6N3O.C32H30F2N4O3S.C32H27F2NO2.C30H23ClF2N2O2/c1-3-25-11-13-28(14-12-25)32-10-7-15-42-39(32)35(18-27-16-30(40)20-31(41)17-27)44-38(45)19-29-23-43-34-22-36(46-2)37(21-33(29)34)47-24-26-8-5-4-6-9-26;1-2-18-5-7-20(8-6-18)24-4-3-11-39-30(24)28(14-19-12-22(34)15-23(35)13-19)41-31(42)29(32(36,37)38)26-17-40-27-10-9-21(33)16-25(26)27;1-3-20-6-8-22(9-7-20)27-5-4-12-35-32(27)30(15-21-13-24(33)17-25(34)14-21)37-31(39)16-23-19-36-29-11-10-26(18-28(23)29)38-42(2,40)41;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;31-23-8-5-19(6-9-23)27-2-1-11-34-30(27)22(12-18-13-24(32)17-25(33)14-18)16-26(36)15-21-4-3-20-7-10-28(37)35-29(20)21/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);3-13,15-17,28-29,40H,2,14H2,1H3,(H,41,42);4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;1-2,4-11,13-14,17,22H,3,12,15-16H2,(H,35,37)/t35-;28-,29?;30-;25-;22-/m00011/s1
InChIKeyFYIBLAPRDNDIRM-BUVXQTIWSA-N
XLogP36.38
TPSA350.98 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds46
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002814.51
LogP ≤ 536.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one with MolForge

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Related Compounds

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 157476189
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 157725617
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 158447163
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 159517164
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 161718517
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 158106877
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 158598124
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 158733942

Frequently Asked Questions

What is the IUPAC name of 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one (CID 158178798) is 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one is CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(OC)c(OCc4ccccc4)cc23)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NS(C)(=O)=O)cc23)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(=O)[nH]c21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1.
What is the InChIKey of 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is FYIBLAPRDNDIRM-BUVXQTIWSA-N. The full InChI is InChI=1S/C39H35F2N3O3.C32H25F6N3O.C32H30F2N4O3S.C32H27F2NO2.C30H23ClF2N2O2/c1-3-25-11-13-28(14-12-25)32-10-7-15-42-39(32)35(18-27-16-30(40)20-31(41)17-27)44-38(45)19-29-23-43-34-22-36(46-2)37(21-33(29)34)47-24-26-8-5-4-6-9-26;1-2-18-5-7-20(8-6-18)24-4-3-11-39-30(24)28(14-19-12-22(34)15-23(35)13-19)41-31(42)29(32(36,37)38)26-17-40-27-10-9-21(33)16-25(26)27;1-3-20-6-8-22(9-7-20)27-5-4-12-35-32(27)30(15-21-13-24(33)17-25(34)14-21)37-31(39)16-23-19-36-29-11-10-26(18-28(23)29)38-42(2,40)41;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;31-23-8-5-19(6-9-23)27-2-1-11-34-30(27)22(12-18-13-24(32)17-25(33)14-18)16-26(36)15-21-4-3-20-7-10-28(37)35-29(20)21/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);3-13,15-17,28-29,40H,2,14H2,1H3,(H,41,42);4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;1-2,4-11,13-14,17,22H,3,12,15-16H2,(H,35,37)/t35-;28-,29?;30-;25-;22-/m00011/s1.
What are the key properties of 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one?
7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 2814.51 g/mol, XLogP of 36.38, 46 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158178798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).