7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C92H109F8N15O8 — CID 159771789

About 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 159771789) has the molecular formula C92H109F8N15O8 and a molecular weight of 1704.96 g/mol. Its IUPAC name is 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 159771789
• Molecular Formula: C92H109F8N15O8
• Molecular Weight: 1704.96 g/mol
• Exact Mass: 1703.85
• IUPAC Name: 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
• SMILES: CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)COC2)C1.Cc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(C)(C)O)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(F)F)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)NC1=O
• InChI: InChI=1S/C24H25F5N4O3.C24H31N3O2.C23H30N4O2.C21H23F3N4O/c1-31(2)23(16-4-3-5-17(25)8-16)10-22(11-23)13-32(20(34)33(22)12-21(26)14-35-15-21)19-7-6-18(9-30-19)36-24(27,28)29;1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18;1-16-11-19(21(2,3)29)24-12-18(16)27-15-22(25-20(27)28)13-23(14-22,26(4)5)17-9-7-6-8-10-17;1-13-7-16(18(23)24)25-9-17(13)28-12-20(26-19(28)29)10-21(11-20,27(2)3)14-5-4-6-15(22)8-14/h3-9H,10-15H2,1-2H3;6-13,29H,14-16H2,1-5H3,(H,25,28);6-12,29H,13-15H2,1-5H3,(H,25,28);4-9,18H,10-12H2,1-3H3,(H,26,29)
• InChIKey: NGFAEGWJFRYASJ-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 231.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.96
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 159771789) is 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)COC2)C1.Cc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(C)(C)O)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.Cc1cc(C(F)F)ncc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)NC1=O.

What is the InChIKey of 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The InChIKey is NGFAEGWJFRYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N4O3.C24H31N3O2.C23H30N4O2.C21H23F3N4O/c1-31(2)23(16-4-3-5-17(25)8-16)10-22(11-23)13-32(20(34)33(22)12-21(26)14-35-15-21)19-7-6-18(9-30-19)36-24(27,28)29;1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18;1-16-11-19(21(2,3)29)24-12-18(16)27-15-22(25-20(27)28)13-23(14-22,26(4)5)17-9-7-6-8-10-17;1-13-7-16(18(23)24)25-9-17(13)28-12-20(26-19(28)29)10-21(11-20,27(2)3)14-5-4-6-15(22)8-14/h3-9H,10-15H2,1-2H3;6-13,29H,14-16H2,1-5H3,(H,25,28);6-12,29H,13-15H2,1-5H3,(H,25,28);4-9,18H,10-12H2,1-3H3,(H,26,29).

What are the key properties of 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1704.96 g/mol, XLogP of 14.95, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 159771789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).