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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C126H113F13N10O5 — CID 157348347

About 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 157348347) has the molecular formula C126H113F13N10O5 and a molecular weight of 2094.33 g/mol. Its IUPAC name is 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• PubChem CID: 157348347
• Molecular Formula: C126H113F13N10O5
• Molecular Weight: 2094.33 g/mol
• Exact Mass: 2092.87
• IUPAC Name: 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
• SMILES: CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccccc32)Cc2cc(F)cc(F)c2)cc1
• InChI: InChI=1S/C32H27F2NO2.C32H27F2NO.C31H29F5N4O.C31H30F4N4O/c1-20-4-6-22(7-5-20)30-3-2-12-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-9-8-23-10-11-28(36)19-31(23)24;1-21-8-10-24(11-9-21)31-7-4-14-35-32(31)26(15-22-16-27(33)20-28(34)17-22)19-29(36)18-25-13-12-23-5-2-3-6-30(23)25;1-2-19-9-11-21(12-10-19)24-7-5-13-37-29(24)26(16-20-14-22(32)17-23(33)15-20)38-28(41)18-40-27-8-4-3-6-25(27)30(39-40)31(34,35)36;1-2-20-12-14-22(15-13-20)24-10-6-16-36-29(24)26(18-21-7-5-8-23(32)17-21)37-28(40)19-39-27-11-4-3-9-25(27)30(38-39)31(33,34)35/h2-7,9-12,14-15,18-19,25,36H,8,13,16-17H2,1H3;2-11,13-14,16-17,20,26H,12,15,18-19H2,1H3;5,7,9-15,17,26H,2-4,6,8,16,18H2,1H3,(H,38,41);5-8,10,12-17,26H,2-4,9,11,18-19H2,1H3,(H,37,40)/t25-;3*26-/m1100/s1
• InChIKey: BHFVDZJHHRLFST-MLWDWLAZSA-N
• XLogP: 28.43
• TPSA: 199.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.33
LogP ≤ 5	28.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The IUPAC name of 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 157348347) is 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-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-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;(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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The canonical SMILES for 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccccc32)Cc2cc(F)cc(F)c2)cc1.

What is the InChIKey of 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?

The InChIKey is BHFVDZJHHRLFST-MLWDWLAZSA-N. The full InChI is InChI=1S/C32H27F2NO2.C32H27F2NO.C31H29F5N4O.C31H30F4N4O/c1-20-4-6-22(7-5-20)30-3-2-12-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-9-8-23-10-11-28(36)19-31(23)24;1-21-8-10-24(11-9-21)31-7-4-14-35-32(31)26(15-22-16-27(33)20-28(34)17-22)19-29(36)18-25-13-12-23-5-2-3-6-30(23)25;1-2-19-9-11-21(12-10-19)24-7-5-13-37-29(24)26(16-20-14-22(32)17-23(33)15-20)38-28(41)18-40-27-8-4-3-6-25(27)30(39-40)31(34,35)36;1-2-20-12-14-22(15-13-20)24-10-6-16-36-29(24)26(18-21-7-5-8-23(32)17-21)37-28(40)19-39-27-11-4-3-9-25(27)30(38-39)31(33,34)35/h2-7,9-12,14-15,18-19,25,36H,8,13,16-17H2,1H3;2-11,13-14,16-17,20,26H,12,15,18-19H2,1H3;5,7,9-15,17,26H,2-4,6,8,16,18H2,1H3,(H,38,41);5-8,10,12-17,26H,2-4,9,11,18-19H2,1H3,(H,37,40)/t25-;3*26-/m1100/s1.

What are the key properties of 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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-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-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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 2094.33 g/mol, XLogP of 28.43, 32 rotatable bonds, 3 hydrogen bond donors, and 13 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-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;(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;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 157348347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).