difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

C31H25F8N5O3 — CID 144505348

About difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 144505348) has the molecular formula C31H25F8N5O3 and a molecular weight of 667.56 g/mol. Its IUPAC name is difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 144505348
• Molecular Formula: C31H25F8N5O3
• Molecular Weight: 667.56 g/mol
• Exact Mass: 667.18
• IUPAC Name: difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: FCF.NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CCC3)ccc1F
• InChI: InChI=1S/C30H23F6N5O3.CH2F2/c31-17-9-15(10-18(32)13-17)11-23(26-19(4-2-8-38-26)16-6-7-22(33)21(12-16)29(37)44)39-25(43)14-41-27-20(3-1-5-24(27)42)28(40-41)30(34,35)36;2-1-3/h2,4,6-10,12-13,23H,1,3,5,11,14H2,(H2,37,44)(H,39,43);1H2
• InChIKey: RZQZHWYKSVNPBX-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 119.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.56
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (CID 144505348) is difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is FCF.NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CCC3)ccc1F.

What is the InChIKey of difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is RZQZHWYKSVNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F6N5O3.CH2F2/c31-17-9-15(10-18(32)13-17)11-23(26-19(4-2-8-38-26)16-6-7-22(33)21(12-16)29(37)44)39-25(43)14-41-27-20(3-1-5-24(27)42)28(40-41)30(34,35)36;2-1-3/h2,4,6-10,12-13,23H,1,3,5,11,14H2,(H2,37,44)(H,39,43);1H2.

What are the key properties of difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 667.56 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for difluoromethane;5-[2-[2-(3,5-difluorophenyl)-1-[[2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 144505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).