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-(2-methylsulfonylethyl)-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

C97H118F10N14O9S — CID 158757374

IUPAC5-(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-(2-methylsulfonylethyl)-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
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.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
InChIInChI=1S/C27H34FN3O2.C25H28F4N4O.C24H26F4N4O3.C21H30FN3O3S/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;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/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;4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeyIOFWAGUXWLROAC-UHFFFAOYSA-N
MW1846.15 g/mol
LogP15.83
Rot. Bonds25

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-(2-methylsulfonylethyl)-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-(2-methylsulfonylethyl)-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 158757374) has the molecular formula C97H118F10N14O9S and a molecular weight of 1846.15 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-(2-methylsulfonylethyl)-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 Name5-(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-(2-methylsulfonylethyl)-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 CID158757374
Molecular FormulaC97H118F10N14O9S
Molecular Weight1846.15 g/mol
Exact Mass1844.88
IUPAC Name5-(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-(2-methylsulfonylethyl)-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
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.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
InChIInChI=1S/C27H34FN3O2.C25H28F4N4O.C24H26F4N4O3.C21H30FN3O3S/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;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/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;4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeyIOFWAGUXWLROAC-UHFFFAOYSA-N
XLogP15.83
TPSA205.77 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.15
LogP ≤ 515.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 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-(2-methylsulfonylethyl)-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 with MolForge

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Related Compounds

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
7-[6-(Difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 159771789
5-(Cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 160797507
5-(Cyclopropylmethyl)-7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-7-(6-cyclopropyl-3-pyridinyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-phenyl-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
CID 161915684

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-(2-methylsulfonylethyl)-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-(2-methylsulfonylethyl)-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 158757374) 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-(2-methylsulfonylethyl)-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-(2-methylsulfonylethyl)-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-(2-methylsulfonylethyl)-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(CCS(C)(=O)=O)C(=O)N2CC2CC2)C1.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-(2-methylsulfonylethyl)-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 IOFWAGUXWLROAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2.C25H28F4N4O.C24H26F4N4O3.C21H30FN3O3S/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;1-23(2)21(17-5-4-6-18(22)11-17)13-20(14-21)15-24(9-10-29(3,27)28)19(26)25(20)12-16-7-8-16/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;4-6,11,16H,7-10,12-15H2,1-3H3.
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-(2-methylsulfonylethyl)-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-(2-methylsulfonylethyl)-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 1846.15 g/mol, XLogP of 15.83, 25 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-[4-(2-hydroxypropan-2-yl)phenyl]-5,7-diazaspiro[3.4]octan-6-one;5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methylsulfonylethyl)-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 158757374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).