5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one

C97H118F5N17O6 — CID 161044888

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 161044888) has the molecular formula C97H118F5N17O6 and a molecular weight of 1713.11 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 161044888
• Molecular Formula: C97H118F5N17O6
• Molecular Weight: 1713.11 g/mol
• Exact Mass: 1711.94
• IUPAC Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one
• SMILES: CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cncc(C(F)(F)F)c3)C(=O)N2CC2CC2)C1.COC(C)(C)CN1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.Cc1cc(C2CC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)N(CC2(F)COC2)C1=O
• InChI: InChI=1S/C27H33FN4O2.C24H27F3N4O.C23H34FN3O2.C23H24N6O/c1-19-11-22(20-9-10-20)29-12-23(19)31-16-26(32(24(31)33)15-25(28)17-34-18-25)13-27(14-26,30(2)3)21-7-5-4-6-8-21;1-29(2)23(18-6-4-3-5-7-18)14-22(15-23)16-30(21(32)31(22)13-17-8-9-17)20-10-19(11-28-12-20)24(25,26)27;1-21(2,29-5)15-26-16-22(27(20(26)28)12-17-9-10-17)13-23(14-22,25(3)4)18-7-6-8-19(24)11-18;1-28(2)23(18-6-4-3-5-7-18)14-22(15-23)16-29(21(30)27-22)19-12-25-20(26-13-19)17-8-10-24-11-9-17/h4-8,11-12,20H,9-10,13-18H2,1-3H3;3-7,10-12,17H,8-9,13-16H2,1-2H3;6-8,11,17H,9-10,12-16H2,1-5H3;3-13H,14-16H2,1-2H3,(H,27,30)
• InChIKey: UBJIDSSUCQYNEX-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 198.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1713.11
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one (CID 161044888) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cncc(C(F)(F)F)c3)C(=O)N2CC2CC2)C1.COC(C)(C)CN1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.Cc1cc(C2CC2)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)N(CC2(F)COC2)C1=O.

What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?

The InChIKey is UBJIDSSUCQYNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2.C24H27F3N4O.C23H34FN3O2.C23H24N6O/c1-19-11-22(20-9-10-20)29-12-23(19)31-16-26(32(24(31)33)15-25(28)17-34-18-25)13-27(14-26,30(2)3)21-7-5-4-6-8-21;1-29(2)23(18-6-4-3-5-7-18)14-22(15-23)16-30(21(32)31(22)13-17-8-9-17)20-10-19(11-28-12-20)24(25,26)27;1-21(2,29-5)15-26-16-22(27(20(26)28)12-17-9-10-17)13-23(14-22,25(3)4)18-7-6-8-19(24)11-18;1-28(2)23(18-6-4-3-5-7-18)14-22(15-23)16-29(21(30)27-22)19-12-25-20(26-13-19)17-8-10-24-11-9-17/h4-8,11-12,20H,9-10,13-18H2,1-3H3;3-7,10-12,17H,8-9,13-16H2,1-2H3;6-8,11,17H,9-10,12-16H2,1-5H3;3-13H,14-16H2,1-2H3,(H,27,30).

What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one?

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1713.11 g/mol, XLogP of 15.73, 22 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethyl)-3-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 161044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).