N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C120H108F10N14O7 — CID 158166158

About N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 158166158) has the molecular formula C120H108F10N14O7 and a molecular weight of 2048.25 g/mol. Its IUPAC name is N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• PubChem CID: 158166158
• Molecular Formula: C120H108F10N14O7
• Molecular Weight: 2048.25 g/mol
• Exact Mass: 2046.84
• IUPAC Name: N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• SMILES: COc1ccc(-c2cccnc2[C@@H](Cc2ccccc2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.Cc1ccccc1-c1cccnc1[C@H](Cc1cc(F)cc(F)c1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1cccc(F)c1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1cccc(F)c1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
• InChI: InChI=1S/C30H28F4N4O.C30H29F3N4O2.C30H25F2N3O2.C30H26FN3O2/c1-19-8-2-3-11-22(19)23-13-7-15-35-28(23)25(17-20-9-6-10-21(31)16-20)36-27(39)18-38-26-14-5-4-12-24(26)29(37-38)30(32,33)34;1-39-22-15-13-21(14-16-22)23-11-7-17-34-28(23)25(18-20-8-3-2-4-9-20)35-27(38)19-37-26-12-6-5-10-24(26)29(36-37)30(31,32)33;1-18-5-2-3-6-24(18)25-7-4-10-33-30(25)28(13-19-11-21(31)15-22(32)12-19)35-29(37)14-20-17-34-27-9-8-23(36)16-26(20)27;1-19-6-2-3-9-24(19)25-10-5-13-32-30(25)28(15-20-7-4-8-22(31)14-20)34-29(36)16-21-18-33-27-12-11-23(35)17-26(21)27/h2-3,6-11,13,15-16,25H,4-5,12,14,17-18H2,1H3,(H,36,39);2-4,7-9,11,13-17,25H,5-6,10,12,18-19H2,1H3,(H,35,38);2-12,15-17,28,34,36H,13-14H2,1H3,(H,35,37);2-14,17-18,28,33,35H,15-16H2,1H3,(H,34,36)/t2*25-;2*28-/m0100/s1
• InChIKey: FWWCWDBHPZMCRC-LQIKRLJHSA-N
• XLogP: 24.53
• TPSA: 284.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.25
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 158166158) is N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

What is the SMILES notation for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The canonical SMILES for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1ccc(-c2cccnc2[C@@H](Cc2ccccc2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.Cc1ccccc1-c1cccnc1[C@H](Cc1cc(F)cc(F)c1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1cccc(F)c1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1cccc(F)c1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.

What is the InChIKey of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The InChIKey is FWWCWDBHPZMCRC-LQIKRLJHSA-N. The full InChI is InChI=1S/C30H28F4N4O.C30H29F3N4O2.C30H25F2N3O2.C30H26FN3O2/c1-19-8-2-3-11-22(19)23-13-7-15-35-28(23)25(17-20-9-6-10-21(31)16-20)36-27(39)18-38-26-14-5-4-12-24(26)29(37-38)30(32,33)34;1-39-22-15-13-21(14-16-22)23-11-7-17-34-28(23)25(18-20-8-3-2-4-9-20)35-27(38)19-37-26-12-6-5-10-24(26)29(36-37)30(31,32)33;1-18-5-2-3-6-24(18)25-7-4-10-33-30(25)28(13-19-11-21(31)15-22(32)12-19)35-29(37)14-20-17-34-27-9-8-23(36)16-26(20)27;1-19-6-2-3-9-24(19)25-10-5-13-32-30(25)28(15-20-7-4-8-22(31)14-20)34-29(36)16-21-18-33-27-12-11-23(35)17-26(21)27/h2-3,6-11,13,15-16,25H,4-5,12,14,17-18H2,1H3,(H,36,39);2-4,7-9,11,13-17,25H,5-6,10,12,18-19H2,1H3,(H,35,38);2-12,15-17,28,34,36H,13-14H2,1H3,(H,35,37);2-14,17-18,28,33,35H,15-16H2,1H3,(H,34,36)/t2*25-;2*28-/m0100/s1.

What are the key properties of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 2048.25 g/mol, XLogP of 24.53, 29 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 158166158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).