6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

C69H74F9N13O5 — CID 159859529

About 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 159859529) has the molecular formula C69H74F9N13O5 and a molecular weight of 1336.42 g/mol. Its IUPAC name is 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 159859529
• Molecular Formula: C69H74F9N13O5
• Molecular Weight: 1336.42 g/mol
• Exact Mass: 1335.58
• IUPAC Name: 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-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)N2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1.Cc1cc(C#N)cnc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O
• InChI: InChI=1S/C25H28FN5O.C24H26F4N4O2.C20H20F4N4O2/c1-17-9-19(11-27)12-28-22(17)30-16-24(31(23(30)32)13-18-7-8-18)14-25(15-24,29(2)3)20-5-4-6-21(26)10-20;1-30(2)23(17-4-3-5-18(25)10-17)13-22(14-23)15-31(21(33)32(22)12-16-6-7-16)20-9-8-19(11-29-20)34-24(26,27)28;1-27(2)19(13-4-3-5-14(21)8-13)10-18(11-19)12-28(17(29)26-18)16-7-6-15(9-25-16)30-20(22,23)24/h4-6,9-10,12,18H,7-8,13-16H2,1-3H3;3-5,8-11,16H,6-7,12-15H2,1-2H3;3-9H,10-12H2,1-2H3,(H,26,29)
• InChIKey: NQYPCFLEIANSKR-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 170.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1336.42
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (CID 159859529) is 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-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)N2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1.Cc1cc(C#N)cnc1N1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.

What is the InChIKey of 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?

The InChIKey is NQYPCFLEIANSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O.C24H26F4N4O2.C20H20F4N4O2/c1-17-9-19(11-27)12-28-22(17)30-16-24(31(23(30)32)13-18-7-8-18)14-25(15-24,29(2)3)20-5-4-6-21(26)10-20;1-30(2)23(17-4-3-5-18(25)10-17)13-22(14-23)15-31(21(33)32(22)12-16-6-7-16)20-9-8-19(11-29-20)34-24(26,27)28;1-27(2)19(13-4-3-5-14(21)8-13)10-18(11-19)12-28(17(29)26-18)16-7-6-15(9-25-16)30-20(22,23)24/h4-6,9-10,12,18H,7-8,13-16H2,1-3H3;3-5,8-11,16H,6-7,12-15H2,1-2H3;3-9H,10-12H2,1-2H3,(H,26,29).

What are the key properties of 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?

6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1336.42 g/mol, XLogP of 12.44, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-7-yl]-5-methylpyridine-3-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 159859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).