(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

C171H149F42N25O13 — CID 160503377

About (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)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-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (PubChem CID 160503377) has the molecular formula C171H149F42N25O13 and a molecular weight of 3560.15 g/mol. Its IUPAC name is (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• PubChem CID: 160503377
• Molecular Formula: C171H149F42N25O13
• Molecular Weight: 3560.15 g/mol
• Exact Mass: 3558.11
• IUPAC Name: (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• SMILES: CC(=O)c1cc(-c2cnc(N3CC4(COC4)C3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cnc(NCC3CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COCCNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COCCNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1
• InChI: InChI=1S/C36H30F9N5O3.C35H30F9N5O2.C34H30F9N5O3.C34H33F6N5O3.C32H26F9N5O2/c1-18(51)25-10-20(2-3-27(25)39)26-12-46-33(49-14-34(15-49)16-53-17-34)47-29(26)21(6-19-7-22(37)11-23(38)8-19)9-24(52)13-50-31-28(30(48-50)32(40)41)35(42,43)4-5-36(31,44)45;1-17(50)25-12-20(4-5-27(25)38)26-15-46-33(45-14-18-2-3-18)47-29(26)21(8-19-9-22(36)13-23(37)10-19)11-24(51)16-49-31-28(30(48-49)32(39)40)34(41,42)6-7-35(31,43)44;1-17(49)24-13-19(3-4-26(24)37)25-15-45-32(44-7-8-51-2)46-28(25)20(9-18-10-21(35)14-22(36)11-18)12-23(50)16-48-30-27(29(47-48)31(38)39)33(40,41)5-6-34(30,42)43;1-19(46)27-15-21(7-8-29(27)37)28-17-42-33(41-9-10-48-2)43-31(28)22(11-20-12-23(35)16-24(36)13-20)14-25(47)18-45-30-6-4-3-5-26(30)32(44-45)34(38,39)40;1-15(47)22-11-17(3-4-24(22)35)23-13-43-30(42-2)44-26(23)18(7-16-8-19(33)12-20(34)9-16)10-21(48)14-46-28-25(27(45-46)29(36)37)31(38,39)5-6-32(28,40)41/h2-3,7-8,10-12,21,32H,4-6,9,13-17H2,1H3;4-5,9-10,12-13,15,18,21,32H,2-3,6-8,11,14,16H2,1H3,(H,45,46,47);3-4,10-11,13-15,20,31H,5-9,12,16H2,1-2H3,(H,44,45,46);7-8,12-13,15-17,22H,3-6,9-11,14,18H2,1-2H3,(H,41,42,43);3-4,8-9,11-13,18,29H,5-7,10,14H2,1-2H3,(H,42,43,44)/t2*21-;20-;22-;18-/m11101/s1
• InChIKey: QSBSKKBWUCKDIP-AAKIPMIJSA-N
• XLogP: 39.10
• TPSA: 467.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 62
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3560.15
LogP ≤ 5	39.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The IUPAC name of (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (CID 160503377) is (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

What is the SMILES notation for (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The canonical SMILES for (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is CC(=O)c1cc(-c2cnc(N3CC4(COC4)C3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cnc(NCC3CC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COCCNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)n1.COCCNc1ncc(-c2ccc(F)c(C(C)=O)c2)c([C@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1.

What is the InChIKey of (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The InChIKey is QSBSKKBWUCKDIP-AAKIPMIJSA-N. The full InChI is InChI=1S/C36H30F9N5O3.C35H30F9N5O2.C34H30F9N5O3.C34H33F6N5O3.C32H26F9N5O2/c1-18(51)25-10-20(2-3-27(25)39)26-12-46-33(49-14-34(15-49)16-53-17-34)47-29(26)21(6-19-7-22(37)11-23(38)8-19)9-24(52)13-50-31-28(30(48-50)32(40)41)35(42,43)4-5-36(31,44)45;1-17(50)25-12-20(4-5-27(25)38)26-15-46-33(45-14-18-2-3-18)47-29(26)21(8-19-9-22(36)13-23(37)10-19)11-24(51)16-49-31-28(30(48-49)32(39)40)34(41,42)6-7-35(31,43)44;1-17(49)24-13-19(3-4-26(24)37)25-15-45-32(44-7-8-51-2)46-28(25)20(9-18-10-21(35)14-22(36)11-18)12-23(50)16-48-30-27(29(47-48)31(38)39)33(40,41)5-6-34(30,42)43;1-19(46)27-15-21(7-8-29(27)37)28-17-42-33(41-9-10-48-2)43-31(28)22(11-20-12-23(35)16-24(36)13-20)14-25(47)18-45-30-6-4-3-5-26(30)32(44-45)34(38,39)40;1-15(47)22-11-17(3-4-24(22)35)23-13-43-30(42-2)44-26(23)18(7-16-8-19(33)12-20(34)9-16)10-21(48)14-46-28-25(27(45-46)29(36)37)31(38,39)5-6-32(28,40)41/h2-3,7-8,10-12,21,32H,4-6,9,13-17H2,1H3;4-5,9-10,12-13,15,18,21,32H,2-3,6-8,11,14,16H2,1H3,(H,45,46,47);3-4,10-11,13-15,20,31H,5-9,12,16H2,1-2H3,(H,44,45,46);7-8,12-13,15-17,22H,3-6,9-11,14,18H2,1-2H3,(H,41,42,43);3-4,8-9,11-13,18,29H,5-7,10,14H2,1-2H3,(H,42,43,44)/t2*21-;20-;22-;18-/m11101/s1.

What are the key properties of (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)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-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one has a molecular weight of 3560.15 g/mol, XLogP of 39.10, 62 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(cyclopropylmethylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4S)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(methylamino)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-[5-(3-acetyl-4-fluorophenyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is sourced from PubChem (CID 160503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).