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

C76H88F9N11O6 — CID 159246859

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

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 159246859) has the molecular formula C76H88F9N11O6 and a molecular weight of 1422.59 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 159246859
• Molecular Formula: C76H88F9N11O6
• Molecular Weight: 1422.59 g/mol
• Exact Mass: 1421.68
• IUPAC Name: 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
• SMILES: CN(C)C1(c2cccc(F)c2)CC2(CN(Cc3ccc(C(F)(F)F)nc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(C(C)(C)O)cc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)COC2)C1
• InChI: InChI=1S/C27H34FN3O2.C25H28F4N4O.C24H26F4N4O3/c1-25(2,33)20-10-12-23(13-11-20)30-18-26(31(24(30)32)15-19-8-9-19)16-27(17-26,29(3)4)21-6-5-7-22(28)14-21;1-31(2)24(19-4-3-5-20(26)10-19)14-23(15-24)16-32(22(34)33(23)13-17-6-7-17)12-18-8-9-21(30-11-18)25(27,28)29;1-30(2)23(17-6-4-3-5-7-17)11-22(12-23)14-31(20(33)32(22)13-21(25)15-34-16-21)19-9-8-18(10-29-19)35-24(26,27)28/h5-7,10-14,19,33H,8-9,15-18H2,1-4H3;3-5,8-11,17H,6-7,12-16H2,1-2H3;3-10H,11-16H2,1-2H3
• InChIKey: KUUDPPVNDVHPHC-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 144.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.59
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (CID 159246859) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

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

The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(Cc3ccc(C(F)(F)F)nc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(C(C)(C)O)cc3)C(=O)N2CC2CC2)C1.CN(C)C1(c2ccccc2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)COC2)C1.

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

The InChIKey is KUUDPPVNDVHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2.C25H28F4N4O.C24H26F4N4O3/c1-25(2,33)20-10-12-23(13-11-20)30-18-26(31(24(30)32)15-19-8-9-19)16-27(17-26,29(3)4)21-6-5-7-22(28)14-21;1-31(2)24(19-4-3-5-20(26)10-19)14-23(15-24)16-32(22(34)33(23)13-17-6-7-17)12-18-8-9-21(30-11-18)25(27,28)29;1-30(2)23(17-6-4-3-5-7-17)11-22(12-23)14-31(20(33)32(22)13-21(25)15-34-16-21)19-9-8-18(10-29-19)35-24(26,27)28/h5-7,10-14,19,33H,8-9,15-18H2,1-4H3;3-5,8-11,17H,6-7,12-16H2,1-2H3;3-10H,11-16H2,1-2H3.

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

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 1422.59 g/mol, XLogP of 13.52, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 159246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).