1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C195H233F25N38O11S — CID 160614721

IUPAC1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCC1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CCC1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1C)C(=O)N2
InChIInChI=1S/C26H32FN3O3S.C25H31F4N5O.2C25H29F4N5O.C25H30F4N4O.C24H27F4N5O.C24H32N6O2.C21H23F4N5O/c1-3-25(20-5-4-6-21(27)15-20)11-13-26(14-12-25)18-29(24(31)30(26)17-19-7-8-19)23-10-9-22(16-28-23)34(2,32)33;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-33(22(35)34(23)15-17-7-8-17)21-14-20(25(27,28)29)30-32(21)3;1-32(2)24(18-4-3-5-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-6-7-17)20-13-30-21(31-14-20)25(27,28)29;1-30-24(18-6-3-7-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-4-2-5-17)20-13-31-21(32-14-20)25(27,28)29;1-3-23(18-5-4-6-19(26)13-18)9-11-24(12-10-23)16-32(22(34)33(24)15-17-7-8-17)21-14-20(25(27,28)29)30-31(21)2;1-29-23(17-3-2-4-18(25)11-17)9-7-22(8-10-23)15-32(21(34)33(22)14-16-5-6-16)19-12-30-20(31-13-19)24(26,27)28;1-18-20(16-26-21(27-18)29-12-14-32-15-13-29)30-17-23(28-22(30)31)8-10-24(25-2,11-9-23)19-6-4-3-5-7-19;1-29(2)20(14-4-3-5-15(22)10-14)8-6-19(7-9-20)13-30(18(31)28-19)16-11-26-17(27-12-16)21(23,24)25/h4-6,9-10,15-16,19H,3,7-8,11-14,17-18H2,1-2H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-5,12-14,17H,6-11,15-16H2,1-2H3;3,6-7,12-14,17,30H,2,4-5,8-11,15-16H2,1H3;4-6,13-14,17H,3,7-12,15-16H2,1-2H3;2-4,11-13,16,29H,5-10,14-15H2,1H3;3-7,16,25H,8-15,17H2,1-2H3,(H,28,31);3-5,10-12H,6-9,13H2,1-2H3,(H,28,31)
InChIKeyRFYDBKHVDJMRJM-UHFFFAOYSA-N
MW3792.28 g/mol
LogP37.22
Rot. Bonds38

About 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160614721) has the molecular formula C195H233F25N38O11S and a molecular weight of 3792.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160614721
Molecular FormulaC195H233F25N38O11S
Molecular Weight3792.28 g/mol
Exact Mass3789.82
IUPAC Name1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCC1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CCC1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1C)C(=O)N2
InChIInChI=1S/C26H32FN3O3S.C25H31F4N5O.2C25H29F4N5O.C25H30F4N4O.C24H27F4N5O.C24H32N6O2.C21H23F4N5O/c1-3-25(20-5-4-6-21(27)15-20)11-13-26(14-12-25)18-29(24(31)30(26)17-19-7-8-19)23-10-9-22(16-28-23)34(2,32)33;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-33(22(35)34(23)15-17-7-8-17)21-14-20(25(27,28)29)30-32(21)3;1-32(2)24(18-4-3-5-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-6-7-17)20-13-30-21(31-14-20)25(27,28)29;1-30-24(18-6-3-7-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-4-2-5-17)20-13-31-21(32-14-20)25(27,28)29;1-3-23(18-5-4-6-19(26)13-18)9-11-24(12-10-23)16-32(22(34)33(24)15-17-7-8-17)21-14-20(25(27,28)29)30-31(21)2;1-29-23(17-3-2-4-18(25)11-17)9-7-22(8-10-23)15-32(21(34)33(22)14-16-5-6-16)19-12-30-20(31-13-19)24(26,27)28;1-18-20(16-26-21(27-18)29-12-14-32-15-13-29)30-17-23(28-22(30)31)8-10-24(25-2,11-9-23)19-6-4-3-5-7-19;1-29(2)20(14-4-3-5-15(22)10-14)8-6-19(7-9-20)13-30(18(31)28-19)16-11-26-17(27-12-16)21(23,24)25/h4-6,9-10,15-16,19H,3,7-8,11-14,17-18H2,1-2H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-5,12-14,17H,6-11,15-16H2,1-2H3;3,6-7,12-14,17,30H,2,4-5,8-11,15-16H2,1H3;4-6,13-14,17H,3,7-12,15-16H2,1-2H3;2-4,11-13,16,29H,5-10,14-15H2,1H3;3-7,16,25H,8-15,17H2,1-2H3,(H,28,31);3-5,10-12H,6-9,13H2,1-2H3,(H,28,31)
InChIKeyRFYDBKHVDJMRJM-UHFFFAOYSA-N
XLogP37.22
TPSA475.83 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003792.28
LogP ≤ 537.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 160614721) is 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCC1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CCC1(c2cccc(F)c2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1C)C(=O)N2.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RFYDBKHVDJMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3S.C25H31F4N5O.2C25H29F4N5O.C25H30F4N4O.C24H27F4N5O.C24H32N6O2.C21H23F4N5O/c1-3-25(20-5-4-6-21(27)15-20)11-13-26(14-12-25)18-29(24(31)30(26)17-19-7-8-19)23-10-9-22(16-28-23)34(2,32)33;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-33(22(35)34(23)15-17-7-8-17)21-14-20(25(27,28)29)30-32(21)3;1-32(2)24(18-4-3-5-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-6-7-17)20-13-30-21(31-14-20)25(27,28)29;1-30-24(18-6-3-7-19(26)12-18)10-8-23(9-11-24)16-33(22(35)34(23)15-17-4-2-5-17)20-13-31-21(32-14-20)25(27,28)29;1-3-23(18-5-4-6-19(26)13-18)9-11-24(12-10-23)16-32(22(34)33(24)15-17-7-8-17)21-14-20(25(27,28)29)30-31(21)2;1-29-23(17-3-2-4-18(25)11-17)9-7-22(8-10-23)15-32(21(34)33(22)14-16-5-6-16)19-12-30-20(31-13-19)24(26,27)28;1-18-20(16-26-21(27-18)29-12-14-32-15-13-29)30-17-23(28-22(30)31)8-10-24(25-2,11-9-23)19-6-4-3-5-7-19;1-29(2)20(14-4-3-5-15(22)10-14)8-6-19(7-9-20)13-30(18(31)28-19)16-11-26-17(27-12-16)21(23,24)25/h4-6,9-10,15-16,19H,3,7-8,11-14,17-18H2,1-2H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-5,12-14,17H,6-11,15-16H2,1-2H3;3,6-7,12-14,17,30H,2,4-5,8-11,15-16H2,1H3;4-6,13-14,17H,3,7-12,15-16H2,1-2H3;2-4,11-13,16,29H,5-10,14-15H2,1H3;3-7,16,25H,8-15,17H2,1-2H3,(H,28,31);3-5,10-12H,6-9,13H2,1-2H3,(H,28,31).
What are the key properties of 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3792.28 g/mol, XLogP of 37.22, 38 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-(5-methylsulfonyl-2-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-ethyl-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160614721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).