(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one

C127H101Cl2F19N12O10 — CID 158182271

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one (PubChem CID 158182271) has the molecular formula C127H101Cl2F19N12O10 and a molecular weight of 2387.15 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one
• PubChem CID: 158182271
• Molecular Formula: C127H101Cl2F19N12O10
• Molecular Weight: 2387.15 g/mol
• Exact Mass: 2384.68
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3cc(Cl)c(Cl)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C)c3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
• InChI: InChI=1S/C32H23Cl2F3N2O3.C32H28F5N3O2.C32H27F2N3O3.C31H23F9N4O2/c1-17(40)26-11-19(4-5-29(26)37)25-3-2-6-38-32(25)21(7-18-8-22(35)14-23(36)9-18)10-24(41)16-39-30-15-28(34)27(33)12-20(30)13-31(39)42;1-18(41)27-15-20(8-9-28(27)35)25-6-4-10-38-30(25)21(11-19-12-22(33)16-23(34)13-19)14-24(42)17-40-29-7-3-2-5-26(29)31(39-40)32(36)37;1-19-29-9-8-27(39)17-31(29)37(36-19)18-28(40)15-24(11-21-12-25(33)16-26(34)13-21)32-30(7-4-10-35-32)23-6-3-5-22(14-23)20(2)38;1-15(45)22-10-17(2-3-24(22)34)23-12-41-14-42-26(23)18(6-16-7-19(32)11-20(33)8-16)9-21(46)13-44-28-25(27(43-44)29(35)36)30(37,38)4-5-31(28,39)40/h2-6,8-9,11-12,14-15,21H,7,10,13,16H2,1H3;4,6,8-10,12-13,15-16,21,32H,2-3,5,7,11,14,17H2,1H3;3-10,12-14,16-17,24,39H,11,15,18H2,1-2H3;2-3,7-8,10-12,14,18,29H,4-6,9,13H2,1H3/t2*21-;24-;18-/m1111/s1
• InChIKey: FYSWFPBKSLXMRC-AAXUCDCISA-N
• XLogP: 29.36
• TPSA: 295.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.15
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one (CID 158182271) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3cc(Cl)c(Cl)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C)c3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one?

The InChIKey is FYSWFPBKSLXMRC-AAXUCDCISA-N. The full InChI is InChI=1S/C32H23Cl2F3N2O3.C32H28F5N3O2.C32H27F2N3O3.C31H23F9N4O2/c1-17(40)26-11-19(4-5-29(26)37)25-3-2-6-38-32(25)21(7-18-8-22(35)14-23(36)9-18)10-24(41)16-39-30-15-28(34)27(33)12-20(30)13-31(39)42;1-18(41)27-15-20(8-9-28(27)35)25-6-4-10-38-30(25)21(11-19-12-22(33)16-23(34)13-19)14-24(42)17-40-29-7-3-2-5-26(29)31(39-40)32(36)37;1-19-29-9-8-27(39)17-31(29)37(36-19)18-28(40)15-24(11-21-12-25(33)16-26(34)13-21)32-30(7-4-10-35-32)23-6-3-5-22(14-23)20(2)38;1-15(45)22-10-17(2-3-24(22)34)23-12-41-14-42-26(23)18(6-16-7-19(32)11-20(33)8-16)9-21(46)13-44-28-25(27(43-44)29(35)36)30(37,38)4-5-31(28,39)40/h2-6,8-9,11-12,14-15,21H,7,10,13,16H2,1H3;4,6,8-10,12-13,15-16,21,32H,2-3,5,7,11,14,17H2,1H3;3-10,12-14,16-17,24,39H,11,15,18H2,1-2H3;2-3,7-8,10-12,14,18,29H,4-6,9,13H2,1H3/t2*21-;24-;18-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one has a molecular weight of 2387.15 g/mol, XLogP of 29.36, 38 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5,6-dichloro-3H-indol-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3-methylindazol-1-yl)pentan-2-one is sourced from PubChem (CID 158182271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).