(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate

C130H104F26N14O9 — CID 157392152

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 157392152) has the molecular formula C130H104F26N14O9 and a molecular weight of 2500.30 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
• PubChem CID: 157392152
• Molecular Formula: C130H104F26N14O9
• Molecular Weight: 2500.30 g/mol
• Exact Mass: 2498.77
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C3CC3)c2C)Cc2cc(F)cc(F)c2)ccc1F.CCOC(=O)c1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C36H29F6N3O2.C32H27F6N3O2.C31H23F8N5O.C31H25F6N3O4/c1-3-32-33(23-8-5-4-6-9-23)35(36(40,41)42)44-45(32)20-28(47)17-25(14-22-15-26(37)19-27(38)16-22)34-29(10-7-13-43-34)24-11-12-31(39)30(18-24)21(2)46;1-17-29(20-5-6-20)31(32(36,37)38)40-41(17)16-25(43)13-22(10-19-11-23(33)15-24(34)12-19)30-26(4-3-9-39-30)21-7-8-28(35)27(14-21)18(2)42;32-20-7-16(8-21(33)11-20)6-18(26-23(13-40-15-42-26)19-9-17-2-1-3-24(17)41-12-19)10-22(45)14-44-28-25(27(43-44)29(34)35)30(36,37)4-5-31(28,38)39;1-3-44-30(43)26-16-40(39-29(26)31(35,36)37)15-23(42)12-20(9-18-10-21(32)14-22(33)11-18)28-24(5-4-8-38-28)19-6-7-27(34)25(13-19)17(2)41/h4-13,15-16,18-19,25H,3,14,17,20H2,1-2H3;3-4,7-9,11-12,14-15,20,22H,5-6,10,13,16H2,1-2H3;1-2,7-9,11-13,15,18,29H,3-6,10,14H2;4-8,10-11,13-14,16,20H,3,9,12,15H2,1-2H3/t25-;22-;18-;20-/m1111/s1
• InChIKey: BMDDCACCORLOSE-HKDSCJCCSA-N
• XLogP: 30.78
• TPSA: 294.41 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2500.30
LogP ≤ 5	30.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate (CID 157392152) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C3CC3)c2C)Cc2cc(F)cc(F)c2)ccc1F.CCOC(=O)c1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate?

The InChIKey is BMDDCACCORLOSE-HKDSCJCCSA-N. The full InChI is InChI=1S/C36H29F6N3O2.C32H27F6N3O2.C31H23F8N5O.C31H25F6N3O4/c1-3-32-33(23-8-5-4-6-9-23)35(36(40,41)42)44-45(32)20-28(47)17-25(14-22-15-26(37)19-27(38)16-22)34-29(10-7-13-43-34)24-11-12-31(39)30(18-24)21(2)46;1-17-29(20-5-6-20)31(32(36,37)38)40-41(17)16-25(43)13-22(10-19-11-23(33)15-24(34)12-19)30-26(4-3-9-39-30)21-7-8-28(35)27(14-21)18(2)42;32-20-7-16(8-21(33)11-20)6-18(26-23(13-40-15-42-26)19-9-17-2-1-3-24(17)41-12-19)10-22(45)14-44-28-25(27(43-44)29(34)35)30(36,37)4-5-31(28,38)39;1-3-44-30(43)26-16-40(39-29(26)31(35,36)37)15-23(42)12-20(9-18-10-21(32)14-22(33)11-18)28-24(5-4-8-38-28)19-6-7-27(34)25(13-19)17(2)41/h4-13,15-16,18-19,25H,3,14,17,20H2,1-2H3;3-4,7-9,11-12,14-15,20,22H,5-6,10,13,16H2,1-2H3;1-2,7-9,11-13,15,18,29H,3-6,10,14H2;4-8,10-11,13-14,16,20H,3,9,12,15H2,1-2H3/t25-;22-;18-;20-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 2500.30 g/mol, XLogP of 30.78, 41 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 157392152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).