5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

C100H119F5N18O6 — CID 159340891

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 159340891) has the molecular formula C100H119F5N18O6 and a molecular weight of 1764.16 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 159340891
• Molecular Formula: C100H119F5N18O6
• Molecular Weight: 1764.16 g/mol
• Exact Mass: 1762.95
• IUPAC Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
• SMILES: CN(C)C1(c2cccc(F)c2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(Cc3ccc(N4CCOCC4)cc3)C(=O)N2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)N2CC2CC2)C1
• InChI: InChI=1S/C27H30N6O.C25H26F3N5O.C25H31FN4O2.C23H32FN3O2/c1-31(2)27(22-6-4-3-5-7-22)17-26(18-27)19-32(25(34)33(26)16-20-8-9-20)23-14-29-24(30-15-23)21-10-12-28-13-11-21;1-31(2)24(18-6-4-3-5-7-18)14-23(15-24)16-32(22(34)33(23)13-17-8-9-17)19-10-20(25(26,27)28)21(11-29)30-12-19;1-28(2)25(20-4-3-5-21(26)14-20)16-24(17-25)18-30(23(31)27-24)15-19-6-8-22(9-7-19)29-10-12-32-13-11-29;1-25(2)23(18-5-3-6-19(24)11-18)13-21(14-23)15-26(16-22(29)9-4-10-22)20(28)27(21)12-17-7-8-17/h3-7,10-15,20H,8-9,16-19H2,1-2H3;3-7,10,12,17H,8-9,13-16H2,1-2H3;3-9,14H,10-13,15-18H2,1-2H3,(H,27,31);3,5-6,11,17,29H,4,7-10,12-16H2,1-2H3
• InChIKey: LGCWZODIJNGFER-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 224.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.16
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (CID 159340891) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(Cc3ccc(N4CCOCC4)cc3)C(=O)N2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(-c4ccncc4)nc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)N2CC2CC2)C1.

What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?

The InChIKey is LGCWZODIJNGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O.C25H26F3N5O.C25H31FN4O2.C23H32FN3O2/c1-31(2)27(22-6-4-3-5-7-22)17-26(18-27)19-32(25(34)33(26)16-20-8-9-20)23-14-29-24(30-15-23)21-10-12-28-13-11-21;1-31(2)24(18-6-4-3-5-7-18)14-23(15-24)16-32(22(34)33(23)13-17-8-9-17)19-10-20(25(26,27)28)21(11-29)30-12-19;1-28(2)25(20-4-3-5-21(26)14-20)16-24(17-25)18-30(23(31)27-24)15-19-6-8-22(9-7-19)29-10-12-32-13-11-29;1-25(2)23(18-5-3-6-19(24)11-18)13-21(14-23)15-26(16-22(29)9-4-10-22)20(28)27(21)12-17-7-8-17/h3-7,10-15,20H,8-9,16-19H2,1-2H3;3-7,10,12,17H,8-9,13-16H2,1-2H3;3-9,14H,10-13,15-18H2,1-2H3,(H,27,31);3,5-6,11,17,29H,4,7-10,12-16H2,1-2H3.

What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1764.16 g/mol, XLogP of 15.15, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one;5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-(2-pyridin-4-ylpyrimidin-5-yl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-morpholin-4-ylphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 159340891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).