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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C127H107F20N15O9 — CID 159063451

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159063451) has the molecular formula C127H107F20N15O9 and a molecular weight of 2367.31 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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 159063451
• Molecular Formula: C127H107F20N15O9
• Molecular Weight: 2367.31 g/mol
• Exact Mass: 2365.81
• IUPAC Name: 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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: CC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(NC(=O)CC2CC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21
• InChI: InChI=1S/C35H30F6N4O2.C31H26F6N4O2.C31H26F2N2O2.C30H25F6N5O3/c36-22-11-19(12-23(37)15-22)10-21(14-25(46)17-45-33-30(32(44-45)34(38)39)27-16-28(27)35(33,40)41)31-26(2-1-9-42-31)20-5-7-24(8-6-20)43-29(47)13-18-3-4-18;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;1-37-29(43)21-12-17(4-5-23(21)33)20-3-2-7-38-27(20)24(11-16-9-18(31)13-19(32)10-16)39-26(42)14-41-25-6-8-44-15-22(25)28(40-41)30(34,35)36/h1-2,5-9,11-12,15,18,21,27-28,34H,3-4,10,13-14,16-17H2,(H,43,47);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;2-5,7,9-10,12-13,24H,6,8,11,14-15H2,1H3,(H,37,43)(H,39,42)/t21-,27?,28?;;22-;24-/m1.10/s1
• InChIKey: JYTKDAKMUYGYAI-MINXBONSSA-N
• XLogP: 26.90
• TPSA: 318.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.31
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159063451) 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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(NC(=O)CC2CC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21.

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is JYTKDAKMUYGYAI-MINXBONSSA-N. The full InChI is InChI=1S/C35H30F6N4O2.C31H26F6N4O2.C31H26F2N2O2.C30H25F6N5O3/c36-22-11-19(12-23(37)15-22)10-21(14-25(46)17-45-33-30(32(44-45)34(38)39)27-16-28(27)35(33,40)41)31-26(2-1-9-42-31)20-5-7-24(8-6-20)43-29(47)13-18-3-4-18;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;1-37-29(43)21-12-17(4-5-23(21)33)20-3-2-7-38-27(20)24(11-16-9-18(31)13-19(32)10-16)39-26(42)14-41-25-6-8-44-15-22(25)28(40-41)30(34,35)36/h1-2,5-9,11-12,15,18,21,27-28,34H,3-4,10,13-14,16-17H2,(H,43,47);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;2-5,7,9-10,12-13,24H,6,8,11,14-15H2,1H3,(H,37,43)(H,39,42)/t21-,27?,28?;;22-;24-/m1.10/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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2367.31 g/mol, XLogP of 26.90, 37 rotatable bonds, 5 hydrogen bond donors, and 20 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-[(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]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159063451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).