2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C71H81F9N14O7 — CID 160628251

About 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 160628251) has the molecular formula C71H81F9N14O7 and a molecular weight of 1413.50 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 160628251
• Molecular Formula: C71H81F9N14O7
• Molecular Weight: 1413.50 g/mol
• Exact Mass: 1412.63
• IUPAC Name: 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-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)CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(O)CCC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(N4CCOCC4)nc3)C(=O)N2)C1
• InChI: InChI=1S/C25H28F4N4O3.C24H25F5N4O2.C22H28N6O2/c1-31(2)24(17-5-3-6-18(26)11-17)13-22(14-24)15-32(21(34)33(22)16-23(35)9-4-10-23)20-8-7-19(12-30-20)36-25(27,28)29;1-31(2)23(16-4-3-5-17(25)10-16)12-22(13-23)15-32(20(34)33(22)14-21(26)8-9-21)19-7-6-18(11-30-19)35-24(27,28)29;1-26(2)22(17-6-4-3-5-7-17)14-21(15-22)16-28(20(29)25-21)18-12-23-19(24-13-18)27-8-10-30-11-9-27/h3,5-8,11-12,35H,4,9-10,13-16H2,1-2H3;3-7,10-11H,8-9,12-15H2,1-2H3;3-7,12-13H,8-11,14-16H2,1-2H3,(H,25,29)
• InChIKey: RHOXWSCNXQYHRL-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 191.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.50
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 160628251) is 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-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)CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(O)CCC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(N4CCOCC4)nc3)C(=O)N2)C1.

What is the InChIKey of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

The InChIKey is RHOXWSCNXQYHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O3.C24H25F5N4O2.C22H28N6O2/c1-31(2)24(17-5-3-6-18(26)11-17)13-22(14-24)15-32(21(34)33(22)16-23(35)9-4-10-23)20-8-7-19(12-30-20)36-25(27,28)29;1-31(2)23(16-4-3-5-17(25)10-16)12-22(13-23)15-32(20(34)33(22)14-21(26)8-9-21)19-7-6-18(11-30-19)35-24(27,28)29;1-26(2)22(17-6-4-3-5-7-17)14-21(15-22)16-28(20(29)25-21)18-12-23-19(24-13-18)27-8-10-30-11-9-27/h3,5-8,11-12,35H,4,9-10,13-16H2,1-2H3;3-7,10-11H,8-9,12-15H2,1-2H3;3-7,12-13H,8-11,14-16H2,1-2H3,(H,25,29).

What are the key properties of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?

2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1413.50 g/mol, XLogP of 10.95, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 160628251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).