8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile

C230H280F4N44O17S2 — CID 158484426

IUPAC8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.Cc1cc(C#N)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccn3)C2=O)cn1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H32N6O.C25H33N5O2.C24H28F3N5O2.C23H27N5O.C23H26N4O2.2C23H29N3O3S.C22H26FN3O.2C20H25N5O/c1-21-29-17-24(18-30-21)32-20-26(33(25(32)34)19-23-11-7-8-16-28-23)12-14-27(15-13-26,31(2)3)22-9-5-4-6-10-22;1-28(2)25(20-7-4-3-5-8-20)13-11-23(12-14-25)17-29(21-15-26-19-27-16-21)22(31)30(23)18-24(32)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17;1-17-13-19(14-24)25-15-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)18-7-5-4-6-8-18;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;1-25(2)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17;1-24(2)20(16-6-4-3-5-7-16)10-8-19(9-11-20)14-25(18(26)23-19)17-12-21-15-22-13-17/h4-11,16-18H,12-15,19-20H2,1-3H3;3-5,7-8,15-16,19,32H,6,9-14,17-18H2,1-2H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2;4-8,13,15H,9-12,16H2,1-3H3,(H,26,29);3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);3-10,15H,11-14,16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26);3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyHHXMGYBQQPBSHL-UHFFFAOYSA-N
MW4073.19 g/mol
LogP35.16
Rot. Bonds38

About 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile

8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile (PubChem CID 158484426) has the molecular formula C230H280F4N44O17S2 and a molecular weight of 4073.19 g/mol. Its IUPAC name is 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile.

Molecular Properties

Compound Name8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
PubChem CID158484426
Molecular FormulaC230H280F4N44O17S2
Molecular Weight4073.19 g/mol
Exact Mass4070.18
IUPAC Name8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.Cc1cc(C#N)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccn3)C2=O)cn1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H32N6O.C25H33N5O2.C24H28F3N5O2.C23H27N5O.C23H26N4O2.2C23H29N3O3S.C22H26FN3O.2C20H25N5O/c1-21-29-17-24(18-30-21)32-20-26(33(25(32)34)19-23-11-7-8-16-28-23)12-14-27(15-13-26,31(2)3)22-9-5-4-6-10-22;1-28(2)25(20-7-4-3-5-8-20)13-11-23(12-14-25)17-29(21-15-26-19-27-16-21)22(31)30(23)18-24(32)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17;1-17-13-19(14-24)25-15-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)18-7-5-4-6-8-18;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;1-25(2)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17;1-24(2)20(16-6-4-3-5-7-16)10-8-19(9-11-20)14-25(18(26)23-19)17-12-21-15-22-13-17/h4-11,16-18H,12-15,19-20H2,1-3H3;3-5,7-8,15-16,19,32H,6,9-14,17-18H2,1-2H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2;4-8,13,15H,9-12,16H2,1-3H3,(H,26,29);3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);3-10,15H,11-14,16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26);3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyHHXMGYBQQPBSHL-UHFFFAOYSA-N
XLogP35.16
TPSA681.23 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds38
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004073.19
LogP ≤ 535.16
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The IUPAC name of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile (CID 158484426) is 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile.
What is the SMILES notation for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The canonical SMILES for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.Cc1cc(C#N)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccn3)C2=O)cn1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
The InChIKey is HHXMGYBQQPBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O.C25H33N5O2.C24H28F3N5O2.C23H27N5O.C23H26N4O2.2C23H29N3O3S.C22H26FN3O.2C20H25N5O/c1-21-29-17-24(18-30-21)32-20-26(33(25(32)34)19-23-11-7-8-16-28-23)12-14-27(15-13-26,31(2)3)22-9-5-4-6-10-22;1-28(2)25(20-7-4-3-5-8-20)13-11-23(12-14-25)17-29(21-15-26-19-27-16-21)22(31)30(23)18-24(32)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17;1-17-13-19(14-24)25-15-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)18-7-5-4-6-8-18;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;1-25(2)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-7-4-3-5-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-6-9-18(23)15-19;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17;1-24(2)20(16-6-4-3-5-7-16)10-8-19(9-11-20)14-25(18(26)23-19)17-12-21-15-22-13-17/h4-11,16-18H,12-15,19-20H2,1-3H3;3-5,7-8,15-16,19,32H,6,9-14,17-18H2,1-2H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2;4-8,13,15H,9-12,16H2,1-3H3,(H,26,29);3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);3-10,15H,11-14,16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26);3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile?
8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile has a molecular weight of 4073.19 g/mol, XLogP of 35.16, 38 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1-(pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile is sourced from PubChem (CID 158484426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).