4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C160H140F25N19O10S — CID 161065107

IUPAC4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2cccc(F)c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(CC1CC1)Nc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1
InChIInChI=1S/C34H29F6N5O2.C34H32F6N4O3S.C31H26F6N4O2.C31H26F2N2O2.C30H27F5N4O/c35-20-10-18(11-21(36)14-20)12-26(43-28(47)16-45-32-29(31(44-45)33(37)38)24-15-25(24)34(32,39)40)30-23(2-1-9-41-30)19-5-7-22(8-6-19)42-27(46)13-17-3-4-17;1-3-43(4-2)48(46,47)25-9-7-20(8-10-25)26-6-5-11-41-30(26)21(12-19-13-22(35)16-23(36)14-19)15-24(45)18-44-32-29(31(42-44)33(37)38)27-17-28(27)34(32,39)40;1-17(42)26-14-19(6-7-27(26)34)24-8-9-38-39-29(24)20(10-18-11-21(32)15-22(33)12-18)13-23(43)16-41-28-5-3-2-4-25(28)30(40-41)31(35,36)37;1-19-4-6-21(7-5-19)28-3-2-10-34-31(28)22(11-20-12-24(32)16-25(33)13-20)14-27(37)15-23-18-35-30-9-8-26(36)17-29(23)30;1-18-12-19(14-22(32)13-18)15-25(28-23(9-5-11-36-28)20-6-4-7-21(31)16-20)37-27(40)17-39-26-10-3-2-8-24(26)29(38-39)30(33,34)35/h1-2,5-11,14,17,24-26,33H,3-4,12-13,15-16H2,(H,42,46)(H,43,47);5-11,13-14,16,21,27-28,33H,3-4,12,15,17-18H2,1-2H3;6-9,11-12,14-15,20H,2-5,10,13,16H2,1H3;2-10,12-13,16-18,22,35-36H,11,14-15H2,1H3;4-7,9,11-14,16,25H,2-3,8,10,15,17H2,1H3,(H,37,40)/t24?,25?,26-;21-,27?,28?;;22-;25-/m01.10/s1
InChIKeyUDXOYHKEXGFZFO-VFZOVUCCSA-N
MW2996.02 g/mol
LogP35.02
Rot. Bonds48

About 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 161065107) has the molecular formula C160H140F25N19O10S and a molecular weight of 2996.02 g/mol. Its IUPAC name is 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound Name4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID161065107
Molecular FormulaC160H140F25N19O10S
Molecular Weight2996.02 g/mol
Exact Mass2994.04
IUPAC Name4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2cccc(F)c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(CC1CC1)Nc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1
InChIInChI=1S/C34H29F6N5O2.C34H32F6N4O3S.C31H26F6N4O2.C31H26F2N2O2.C30H27F5N4O/c35-20-10-18(11-21(36)14-20)12-26(43-28(47)16-45-32-29(31(44-45)33(37)38)24-15-25(24)34(32,39)40)30-23(2-1-9-41-30)19-5-7-22(8-6-19)42-27(46)13-17-3-4-17;1-3-43(4-2)48(46,47)25-9-7-20(8-10-25)26-6-5-11-41-30(26)21(12-19-13-22(35)16-23(36)14-19)15-24(45)18-44-32-29(31(42-44)33(37)38)27-17-28(27)34(32,39)40;1-17(42)26-14-19(6-7-27(26)34)24-8-9-38-39-29(24)20(10-18-11-21(32)15-22(33)12-18)13-23(43)16-41-28-5-3-2-4-25(28)30(40-41)31(35,36)37;1-19-4-6-21(7-5-19)28-3-2-10-34-31(28)22(11-20-12-24(32)16-25(33)13-20)14-27(37)15-23-18-35-30-9-8-26(36)17-29(23)30;1-18-12-19(14-22(32)13-18)15-25(28-23(9-5-11-36-28)20-6-4-7-21(31)16-20)37-27(40)17-39-26-10-3-2-8-24(26)29(38-39)30(33,34)35/h1-2,5-11,14,17,24-26,33H,3-4,12-13,15-16H2,(H,42,46)(H,43,47);5-11,13-14,16,21,27-28,33H,3-4,12,15,17-18H2,1-2H3;6-9,11-12,14-15,20H,2-5,10,13,16H2,1H3;2-10,12-13,16-18,22,35-36H,11,14-15H2,1H3;4-7,9,11-14,16,25H,2-3,8,10,15,17H2,1H3,(H,37,40)/t24?,25?,26-;21-,27?,28?;;22-;25-/m01.10/s1
InChIKeyUDXOYHKEXGFZFO-VFZOVUCCSA-N
XLogP35.02
TPSA377.60 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002996.02
LogP ≤ 535.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 161065107) is 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2cccc(F)c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(CC1CC1)Nc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.
What is the InChIKey of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is UDXOYHKEXGFZFO-VFZOVUCCSA-N. The full InChI is InChI=1S/C34H29F6N5O2.C34H32F6N4O3S.C31H26F6N4O2.C31H26F2N2O2.C30H27F5N4O/c35-20-10-18(11-21(36)14-20)12-26(43-28(47)16-45-32-29(31(44-45)33(37)38)24-15-25(24)34(32,39)40)30-23(2-1-9-41-30)19-5-7-22(8-6-19)42-27(46)13-17-3-4-17;1-3-43(4-2)48(46,47)25-9-7-20(8-10-25)26-6-5-11-41-30(26)21(12-19-13-22(35)16-23(36)14-19)15-24(45)18-44-32-29(31(42-44)33(37)38)27-17-28(27)34(32,39)40;1-17(42)26-14-19(6-7-27(26)34)24-8-9-38-39-29(24)20(10-18-11-21(32)15-22(33)12-18)13-23(43)16-41-28-5-3-2-4-25(28)30(40-41)31(35,36)37;1-19-4-6-21(7-5-19)28-3-2-10-34-31(28)22(11-20-12-24(32)16-25(33)13-20)14-27(37)15-23-18-35-30-9-8-26(36)17-29(23)30;1-18-12-19(14-22(32)13-18)15-25(28-23(9-5-11-36-28)20-6-4-7-21(31)16-20)37-27(40)17-39-26-10-3-2-8-24(26)29(38-39)30(33,34)35/h1-2,5-11,14,17,24-26,33H,3-4,12-13,15-16H2,(H,42,46)(H,43,47);5-11,13-14,16,21,27-28,33H,3-4,12,15,17-18H2,1-2H3;6-9,11-12,14-15,20H,2-5,10,13,16H2,1H3;2-10,12-13,16-18,22,35-36H,11,14-15H2,1H3;4-7,9,11-14,16,25H,2-3,8,10,15,17H2,1H3,(H,37,40)/t24?,25?,26-;21-,27?,28?;;22-;25-/m01.10/s1.
What are the key properties of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 2996.02 g/mol, XLogP of 35.02, 48 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-diethylbenzenesulfonamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-fluorophenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 161065107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).