5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C31H25F7N4O3 — CID 147632016

About 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 147632016) has the molecular formula C31H25F7N4O3 and a molecular weight of 634.55 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 147632016
• Molecular Formula: C31H25F7N4O3
• Molecular Weight: 634.55 g/mol
• Exact Mass: 634.18
• IUPAC Name: 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3O)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C31H25F7N4O3/c32-18-9-15(10-19(33)13-18)8-17(26-21(2-1-7-40-26)16-3-4-23(34)22(12-16)30(39)45)11-20(43)14-42-28-25(27(41-42)29(35)36)24(44)5-6-31(28,37)38/h1-4,7,9-10,12-13,17,24,29,44H,5-6,8,11,14H2,(H2,39,45)/t17-,24?/m1/s1
• InChIKey: GFWYTHBXLGFNRL-BPNWFJGMSA-N
• XLogP: 6.30
• TPSA: 111.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.55
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 147632016) is 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3O)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is GFWYTHBXLGFNRL-BPNWFJGMSA-N. The full InChI is InChI=1S/C31H25F7N4O3/c32-18-9-15(10-19(33)13-18)8-17(26-21(2-1-7-40-26)16-3-4-23(34)22(12-16)30(39)45)11-20(43)14-42-28-25(27(41-42)29(35)36)24(44)5-6-31(28,37)38/h1-4,7,9-10,12-13,17,24,29,44H,5-6,8,11,14H2,(H2,39,45)/t17-,24?/m1/s1.

What are the key properties of 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 634.55 g/mol, XLogP of 6.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 147632016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).