5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one

C69H58F17N15O5 — CID 158743204

About 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one

5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 158743204) has the molecular formula C69H58F17N15O5 and a molecular weight of 1500.29 g/mol. Its IUPAC name is 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one
• PubChem CID: 158743204
• Molecular Formula: C69H58F17N15O5
• Molecular Weight: 1500.29 g/mol
• Exact Mass: 1499.45
• IUPAC Name: 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one
• SMILES: NC(=O)c1cc(-c2cnc(NCCN3CCOCC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(-n2cncn2)ncc1-c1ccc2c(c1)C(=O)NC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C36H34F9N7O3.C33H24F8N8O2/c37-22-12-19(13-23(38)16-22)11-21(14-24(53)18-52-31-28(30(50-52)32(40)41)35(42,43)3-4-36(31,44)45)29-26(20-1-2-27(39)25(15-20)33(46)54)17-48-34(49-29)47-5-6-51-7-9-55-10-8-51;34-20-6-16(7-21(35)10-20)5-19(8-22(50)13-48-28-25(27(47-48)29(36)37)32(38,39)3-4-33(28,40)41)26-24(12-44-31(46-26)49-15-42-14-45-49)17-1-2-18-11-43-30(51)23(18)9-17/h1-2,12-13,15-17,21,32H,3-11,14,18H2,(H2,46,54)(H,47,48,49);1-2,6-7,9-10,12,14-15,19,29H,3-5,8,11,13H2,(H,43,51)/t21-;19-/m11/s1
• InChIKey: IMOGFPUBZZHOAX-BIKLSPMQSA-N
• XLogP: 12.84
• TPSA: 248.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.29
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one (CID 158743204) is 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one is NC(=O)c1cc(-c2cnc(NCCN3CCOCC3)nc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(-n2cncn2)ncc1-c1ccc2c(c1)C(=O)NC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one?

The InChIKey is IMOGFPUBZZHOAX-BIKLSPMQSA-N. The full InChI is InChI=1S/C36H34F9N7O3.C33H24F8N8O2/c37-22-12-19(13-23(38)16-22)11-21(14-24(53)18-52-31-28(30(50-52)32(40)41)35(42,43)3-4-36(31,44)45)29-26(20-1-2-27(39)25(15-20)33(46)54)17-48-34(49-29)47-5-6-51-7-9-55-10-8-51;34-20-6-16(7-21(35)10-20)5-19(8-22(50)13-48-28-25(27(47-48)29(36)37)32(38,39)3-4-33(28,40)41)26-24(12-44-31(46-26)49-15-42-14-45-49)17-1-2-18-11-43-30(51)23(18)9-17/h1-2,12-13,15-17,21,32H,3-11,14,18H2,(H2,46,54)(H,47,48,49);1-2,6-7,9-10,12,14-15,19,29H,3-5,8,11,13H2,(H,43,51)/t21-;19-/m11/s1.

What are the key properties of 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one?

5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 1500.29 g/mol, XLogP of 12.84, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158743204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).