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

C134H114F13N11O8S — CID 159517164

IUPACN-[(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
SMILESCCc1ccc(-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.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1
InChIInChI=1S/C39H35F2N3O3.C32H26F3NO.C32H30F2N4O3S.C31H23F6N3O/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;1-20-4-6-22(7-5-20)30-3-2-12-36-32(30)25(13-21-14-27(34)18-28(35)15-21)17-29(37)16-24-9-8-23-10-11-26(33)19-31(23)24;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;1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);2-7,9-12,14-15,18-19,25H,8,13,16-17H2,1H3;4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-12,14-16,27-28,39H,13H2,1H3,(H,40,41)/t35-;25-;30-;27-,28+/m0100/s1
InChIKeyMBIQBPRYABZERG-SZDFJUMPSA-N
MW2285.50 g/mol
LogP29.88
Rot. Bonds37

About 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

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 (PubChem CID 159517164) has the molecular formula C134H114F13N11O8S and a molecular weight of 2285.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID159517164
Molecular FormulaC134H114F13N11O8S
Molecular Weight2285.50 g/mol
Exact Mass2283.84
IUPAC NameN-[(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
SMILESCCc1ccc(-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.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1
InChIInChI=1S/C39H35F2N3O3.C32H26F3NO.C32H30F2N4O3S.C31H23F6N3O/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;1-20-4-6-22(7-5-20)30-3-2-12-36-32(30)25(13-21-14-27(34)18-28(35)15-21)17-29(37)16-24-9-8-23-10-11-26(33)19-31(23)24;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;1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);2-7,9-12,14-15,18-19,25H,8,13,16-17H2,1H3;4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-12,14-16,27-28,39H,13H2,1H3,(H,40,41)/t35-;25-;30-;27-,28+/m0100/s1
InChIKeyMBIQBPRYABZERG-SZDFJUMPSA-N
XLogP29.88
TPSA267.93 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.50
LogP ≤ 529.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-(5-(benzyloxy)-6-methoxy-1H-indol-3-yl)-N-(2-(3,5-difluorophenyl)-1-(3-(4-methoxyphenyl)pyridin-2-yl)ethyl)acetamide
CID 71187433
N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 78024384
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 90162387
N-[2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 123908790
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
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide
CID 157888321
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
3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 158669371
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
CID 158961935
ethyl 5-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]benzoate;N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide
CID 159148111
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
CID 159346093

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is MBIQBPRYABZERG-SZDFJUMPSA-N. The full InChI is InChI=1S/C39H35F2N3O3.C32H26F3NO.C32H30F2N4O3S.C31H23F6N3O/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;1-20-4-6-22(7-5-20)30-3-2-12-36-32(30)25(13-21-14-27(34)18-28(35)15-21)17-29(37)16-24-9-8-23-10-11-26(33)19-31(23)24;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;1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26/h4-17,20-23,35,43H,3,18-19,24H2,1-2H3,(H,44,45);2-7,9-12,14-15,18-19,25H,8,13,16-17H2,1H3;4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-12,14-16,27-28,39H,13H2,1H3,(H,40,41)/t35-;25-;30-;27-,28+/m0100/s1.
What are the key properties of 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?
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 has a molecular weight of 2285.50 g/mol, XLogP of 29.88, 37 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).