N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C127H112ClF17N16O6S — CID 159176322

About N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 159176322) has the molecular formula C127H112ClF17N16O6S and a molecular weight of 2348.88 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• PubChem CID: 159176322
• Molecular Formula: C127H112ClF17N16O6S
• Molecular Weight: 2348.88 g/mol
• Exact Mass: 2346.81
• IUPAC Name: N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• SMILES: C=S(C)(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)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-c2ccc(Cl)c(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(N3CCCC3)cc2)c1
• InChI: InChI=1S/C34H35F4N5O.C32H30F5N5O2S.C31H24F5N3O2.C30H23ClF3N3O/c1-22-17-23(19-25(35)18-22)20-29(40-31(44)21-43-30-9-3-2-7-28(30)33(41-43)34(36,37)38)32-27(8-6-14-39-32)24-10-12-26(13-11-24)42-15-4-5-16-42;1-17-11-18(13-20(33)12-17)14-25(28-22(5-4-10-38-28)19-6-8-21(9-7-19)41-45(2,3)44)39-26(43)16-42-30-27(29(40-42)31(34)35)23-15-24(23)32(30,36)37;1-18-11-19(13-23(33)12-18)14-28(39-29(40)15-21-17-38-27-9-6-22(32)16-26(21)27)30-25(3-2-10-37-30)20-4-7-24(8-5-20)41-31(34,35)36;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27/h6,8,10-14,17-19,29H,2-5,7,9,15-16,20-21H2,1H3,(H,40,44);4-13,23-25,31H,2,14-16H2,1,3H3,(H,39,43)(H,41,44);2-13,16-17,28,38H,14-15H2,1H3,(H,39,40);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;23?,24?,25-,45?;2*28-/m0000/s1
• InChIKey: KMICIUYZEJWFMD-WNQLXODISA-N
• XLogP: 27.91
• TPSA: 276.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.88
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The IUPAC name of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 159176322) is N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

What is the SMILES notation for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The canonical SMILES for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is C=S(C)(=O)Nc1ccc(-c2cccnc2[C@H](Cc2cc(C)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-c2ccc(Cl)c(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(N3CCCC3)cc2)c1.

What is the InChIKey of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The InChIKey is KMICIUYZEJWFMD-WNQLXODISA-N. The full InChI is InChI=1S/C34H35F4N5O.C32H30F5N5O2S.C31H24F5N3O2.C30H23ClF3N3O/c1-22-17-23(19-25(35)18-22)20-29(40-31(44)21-43-30-9-3-2-7-28(30)33(41-43)34(36,37)38)32-27(8-6-14-39-32)24-10-12-26(13-11-24)42-15-4-5-16-42;1-17-11-18(13-20(33)12-17)14-25(28-22(5-4-10-38-28)19-6-8-21(9-7-19)41-45(2,3)44)39-26(43)16-42-30-27(29(40-42)31(34)35)23-15-24(23)32(30,36)37;1-18-11-19(13-23(33)12-18)14-28(39-29(40)15-21-17-38-27-9-6-22(32)16-26(21)27)30-25(3-2-10-37-30)20-4-7-24(8-5-20)41-31(34,35)36;1-17-9-18(11-22(33)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(31)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(32)15-24(20)27/h6,8,10-14,17-19,29H,2-5,7,9,15-16,20-21H2,1H3,(H,40,44);4-13,23-25,31H,2,14-16H2,1,3H3,(H,39,43)(H,41,44);2-13,16-17,28,38H,14-15H2,1H3,(H,39,40);2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;23?,24?,25-,45?;2*28-/m0000/s1.

What are the key properties of N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 2348.88 g/mol, XLogP of 27.91, 33 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(4-chloro-3-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-pyrrolidin-1-ylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 159176322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).