5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol

C63H54F12N8O7 — CID 157300555

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol (PubChem CID 157300555) has the molecular formula C63H54F12N8O7 and a molecular weight of 1263.15 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol.

Molecular Properties

• Compound Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol
• PubChem CID: 157300555
• Molecular Formula: C63H54F12N8O7
• Molecular Weight: 1263.15 g/mol
• Exact Mass: 1262.39
• IUPAC Name: 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol
• SMILES: CC(C)O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3=O)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3O)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C30H24F6N4O3.C30H22F6N4O3.C3H8O/c2*31-18-9-15(10-19(32)13-18)8-17(27-21(2-1-7-38-27)16-3-4-23(33)22(12-16)29(37)43)11-20(41)14-40-24-5-6-25(42)26(24)28(39-40)30(34,35)36;1-3(2)4/h1-4,7,9-10,12-13,17,25,42H,5-6,8,11,14H2,(H2,37,43);1-4,7,9-10,12-13,17H,5-6,8,11,14H2,(H2,37,43);3-4H,1-2H3/t17-,25?;17-;/m11./s1
• InChIKey: BBVTZZULVSFWAW-WCOKIULSSA-N
• XLogP: 11.43
• TPSA: 239.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1263.15
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol?

The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol (CID 157300555) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol.

What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol?

The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol is CC(C)O.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3=O)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3O)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol?

The InChIKey is BBVTZZULVSFWAW-WCOKIULSSA-N. The full InChI is InChI=1S/C30H24F6N4O3.C30H22F6N4O3.C3H8O/c2*31-18-9-15(10-19(32)13-18)8-17(27-21(2-1-7-38-27)16-3-4-23(33)22(12-16)29(37)43)11-20(41)14-40-24-5-6-25(42)26(24)28(39-40)30(34,35)36;1-3(2)4/h1-4,7,9-10,12-13,17,25,42H,5-6,8,11,14H2,(H2,37,43);1-4,7,9-10,12-13,17H,5-6,8,11,14H2,(H2,37,43);3-4H,1-2H3/t17-,25?;17-;/m11./s1.

What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol?

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol has a molecular weight of 1263.15 g/mol, XLogP of 11.43, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;propan-2-ol is sourced from PubChem (CID 157300555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).