N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C159H136ClF21N18O11S — CID 157097937

IUPACN-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.CC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C2CC2CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CCCCNS(=O)(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2Cl)c1
InChIInChI=1S/C33H31F6N5O3S.C33H28F5N3O2.C32H28F2N4O2.C31H25F6N3O3.C30H24ClF2N3O/c1-2-3-11-41-48(46,47)22-8-6-19(7-9-22)23-5-4-10-40-29(23)26(14-18-12-20(34)15-21(35)13-18)42-27(45)17-44-31-28(30(43-44)32(36)37)24-16-25(24)33(31,38)39;1-17(42)27-13-19(5-7-29(27)36)25-3-2-8-39-30(25)21(9-18-10-22(34)15-23(35)11-18)12-24(43)16-41-32-26(31(40-41)33(37)38)6-4-20-14-28(20)32;1-19-12-21(14-25(34)13-19)15-30(38-31(40)16-23-18-36-29-10-7-24(33)17-28(23)29)32-27(4-3-11-35-32)22-5-8-26(9-6-22)37-20(2)39;1-16(41)25-13-18(4-6-26(25)34)23-3-2-8-38-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-40-29-24(5-7-27(29)43)30(39-40)31(35,36)37;1-18-11-19(13-22(33)12-18)14-28(30-24(6-4-10-34-30)23-5-2-3-7-26(23)31)36-29(37)15-20-17-35-27-9-8-21(32)16-25(20)27/h4-10,12-13,15,24-26,32,41H,2-3,11,14,16-17H2,1H3,(H,42,45);2-3,5,7-8,10-11,13,15,20-21,28,33H,4,6,9,12,14,16H2,1H3;3-14,17-18,30,36H,15-16H2,1-2H3,(H,37,39)(H,38,40);2-4,6,8,10-11,13-14,19,27,43H,5,7,9,12,15H2,1H3;2-13,16-17,28,35H,14-15H2,1H3,(H,36,37)/t24?,25?,26-;;30-;19-,27?;28-/m0.010/s1
InChIKeyAFKRCJHUEFXNGP-DPVCLWKZSA-N
MW2941.43 g/mol
LogP34.17
Rot. Bonds47

About N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 157097937) has the molecular formula C159H136ClF21N18O11S and a molecular weight of 2941.43 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID157097937
Molecular FormulaC159H136ClF21N18O11S
Molecular Weight2941.43 g/mol
Exact Mass2938.97
IUPAC NameN-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.CC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C2CC2CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CCCCNS(=O)(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2Cl)c1
InChIInChI=1S/C33H31F6N5O3S.C33H28F5N3O2.C32H28F2N4O2.C31H25F6N3O3.C30H24ClF2N3O/c1-2-3-11-41-48(46,47)22-8-6-19(7-9-22)23-5-4-10-40-29(23)26(14-18-12-20(34)15-21(35)13-18)42-27(45)17-44-31-28(30(43-44)32(36)37)24-16-25(24)33(31,38)39;1-17(42)27-13-19(5-7-29(27)36)25-3-2-8-39-30(25)21(9-18-10-22(34)15-23(35)11-18)12-24(43)16-41-32-26(31(40-41)33(37)38)6-4-20-14-28(20)32;1-19-12-21(14-25(34)13-19)15-30(38-31(40)16-23-18-36-29-10-7-24(33)17-28(23)29)32-27(4-3-11-35-32)22-5-8-26(9-6-22)37-20(2)39;1-16(41)25-13-18(4-6-26(25)34)23-3-2-8-38-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-40-29-24(5-7-27(29)43)30(39-40)31(35,36)37;1-18-11-19(13-22(33)12-18)14-28(30-24(6-4-10-34-30)23-5-2-3-7-26(23)31)36-29(37)15-20-17-35-27-9-8-21(32)16-25(20)27/h4-10,12-13,15,24-26,32,41H,2-3,11,14,16-17H2,1H3,(H,42,45);2-3,5,7-8,10-11,13,15,20-21,28,33H,4,6,9,12,14,16H2,1H3;3-14,17-18,30,36H,15-16H2,1-2H3,(H,37,39)(H,38,40);2-4,6,8,10-11,13-14,19,27,43H,5,7,9,12,15H2,1H3;2-13,16-17,28,35H,14-15H2,1H3,(H,36,37)/t24?,25?,26-;;30-;19-,27?;28-/m0.010/s1
InChIKeyAFKRCJHUEFXNGP-DPVCLWKZSA-N
XLogP34.17
TPSA400.57 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds47
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002941.43
LogP ≤ 534.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 157097937) is N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CC(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1.CC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C2CC2CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CCCCNS(=O)(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2Cl)c1.
What is the InChIKey of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is AFKRCJHUEFXNGP-DPVCLWKZSA-N. The full InChI is InChI=1S/C33H31F6N5O3S.C33H28F5N3O2.C32H28F2N4O2.C31H25F6N3O3.C30H24ClF2N3O/c1-2-3-11-41-48(46,47)22-8-6-19(7-9-22)23-5-4-10-40-29(23)26(14-18-12-20(34)15-21(35)13-18)42-27(45)17-44-31-28(30(43-44)32(36)37)24-16-25(24)33(31,38)39;1-17(42)27-13-19(5-7-29(27)36)25-3-2-8-39-30(25)21(9-18-10-22(34)15-23(35)11-18)12-24(43)16-41-32-26(31(40-41)33(37)38)6-4-20-14-28(20)32;1-19-12-21(14-25(34)13-19)15-30(38-31(40)16-23-18-36-29-10-7-24(33)17-28(23)29)32-27(4-3-11-35-32)22-5-8-26(9-6-22)37-20(2)39;1-16(41)25-13-18(4-6-26(25)34)23-3-2-8-38-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-40-29-24(5-7-27(29)43)30(39-40)31(35,36)37;1-18-11-19(13-22(33)12-18)14-28(30-24(6-4-10-34-30)23-5-2-3-7-26(23)31)36-29(37)15-20-17-35-27-9-8-21(32)16-25(20)27/h4-10,12-13,15,24-26,32,41H,2-3,11,14,16-17H2,1H3,(H,42,45);2-3,5,7-8,10-11,13,15,20-21,28,33H,4,6,9,12,14,16H2,1H3;3-14,17-18,30,36H,15-16H2,1-2H3,(H,37,39)(H,38,40);2-4,6,8,10-11,13-14,19,27,43H,5,7,9,12,15H2,1H3;2-13,16-17,28,35H,14-15H2,1H3,(H,36,37)/t24?,25?,26-;;30-;19-,27?;28-/m0.010/s1.
What are the key properties of N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 2941.43 g/mol, XLogP of 34.17, 47 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-acetamidophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]pentan-2-one;N-[(1S)-1-[3-[4-(butylsulfamoyl)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;N-[(1S)-1-[3-(2-chlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 157097937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).