difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide

C36H40F8N6O5 — CID 145032064

About difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide

difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide (PubChem CID 145032064) has the molecular formula C36H40F8N6O5 and a molecular weight of 788.74 g/mol. Its IUPAC name is difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide.

Molecular Properties

• Compound Name: difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide
• PubChem CID: 145032064
• Molecular Formula: C36H40F8N6O5
• Molecular Weight: 788.74 g/mol
• Exact Mass: 788.29
• IUPAC Name: difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide
• SMILES: COCCN(C)CCOc1ccc(CN2C(=O)C(C(=O)Nc3ccc(C(F)(F)F)cc3-c3cc(CF)ncn3)=C(O)C3(CCCC3)N2C)c(F)c1F.FCF
• InChI: InChI=1S/C35H38F6N6O5.CH2F2/c1-45(12-14-51-3)13-15-52-27-9-6-21(29(37)30(27)38)19-47-33(50)28(31(48)34(46(47)2)10-4-5-11-34)32(49)44-25-8-7-22(35(39,40)41)16-24(25)26-17-23(18-36)42-20-43-26;2-1-3/h6-9,16-17,20,48H,4-5,10-15,18-19H2,1-3H3,(H,44,49);1H2
• InChIKey: QLVGMGIAFHXHLU-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 120.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.74
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide?

The IUPAC name of difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide (CID 145032064) is difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide.

What is the SMILES notation for difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide?

The canonical SMILES for difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide is COCCN(C)CCOc1ccc(CN2C(=O)C(C(=O)Nc3ccc(C(F)(F)F)cc3-c3cc(CF)ncn3)=C(O)C3(CCCC3)N2C)c(F)c1F.FCF.

What is the InChIKey of difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide?

The InChIKey is QLVGMGIAFHXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F6N6O5.CH2F2/c1-45(12-14-51-3)13-15-52-27-9-6-21(29(37)30(27)38)19-47-33(50)28(31(48)34(46(47)2)10-4-5-11-34)32(49)44-25-8-7-22(35(39,40)41)16-24(25)26-17-23(18-36)42-20-43-26;2-1-3/h6-9,16-17,20,48H,4-5,10-15,18-19H2,1-3H3,(H,44,49);1H2.

What are the key properties of difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide?

difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide has a molecular weight of 788.74 g/mol, XLogP of 6.70, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for difluoromethane;7-[[2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-N-[2-[6-(fluoromethyl)pyrimidin-4-yl]-4-(trifluoromethyl)phenyl]-10-hydroxy-6-methyl-8-oxo-6,7-diazaspiro[4.5]dec-9-ene-9-carboxamide is sourced from PubChem (CID 145032064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).