3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

C206H263F9N34O20S4 — CID 159059775

IUPAC3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C28H37N3O3S.C27H35N3O3S.2C25H30F3N5O2.C25H33FN6O2.2C24H30FN3O3S/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-29(2)28(24-10-5-4-6-11-24)17-15-27(16-18-28)21-30(26(32)31(27)19-22-13-14-22)25-12-8-7-9-23(25)20-35(3,33)34;1-28-27(23-9-4-3-5-10-23)16-14-26(15-17-27)20-29(25(31)30(26)18-21-12-13-21)24-11-7-6-8-22(24)19-34(2,32)33;2*1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28;1-18-21(16-27-22(28-18)31-11-13-34-14-12-31)32-17-24(29-23(32)33)7-9-25(10-8-24,30(2)3)19-5-4-6-20(26)15-19;1-27(2)24(19-8-6-9-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)21-10-5-4-7-18(21)16-32(3,30)31;1-27(2)24(19-8-10-20(25)11-9-19)14-12-23(13-15-24)17-28(22(29)26-23)21-7-5-4-6-18(21)16-32(3,30)31/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);4-12,22H,13-21H2,1-3H3;3-11,21,28H,12-20H2,1-2H3;2*2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34);4-6,15-16H,7-14,17H2,1-3H3,(H,29,33);4-10,15H,11-14,16-17H2,1-3H3,(H,26,29);4-11H,12-17H2,1-3H3,(H,26,29)
InChIKeyJYHSYIRESSEOHI-UHFFFAOYSA-N
MW3834.84 g/mol
LogP31.13
Rot. Bonds42

About 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 159059775) has the molecular formula C206H263F9N34O20S4 and a molecular weight of 3834.84 g/mol. Its IUPAC name is 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

Compound Name3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
PubChem CID159059775
Molecular FormulaC206H263F9N34O20S4
Molecular Weight3834.84 g/mol
Exact Mass3831.93
IUPAC Name3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C28H37N3O3S.C27H35N3O3S.2C25H30F3N5O2.C25H33FN6O2.2C24H30FN3O3S/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-29(2)28(24-10-5-4-6-11-24)17-15-27(16-18-28)21-30(26(32)31(27)19-22-13-14-22)25-12-8-7-9-23(25)20-35(3,33)34;1-28-27(23-9-4-3-5-10-23)16-14-26(15-17-27)20-29(25(31)30(26)18-21-12-13-21)24-11-7-6-8-22(24)19-34(2,32)33;2*1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28;1-18-21(16-27-22(28-18)31-11-13-34-14-12-31)32-17-24(29-23(32)33)7-9-25(10-8-24,30(2)3)19-5-4-6-20(26)15-19;1-27(2)24(19-8-6-9-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)21-10-5-4-7-18(21)16-32(3,30)31;1-27(2)24(19-8-10-20(25)11-9-19)14-12-23(13-15-24)17-28(22(29)26-23)21-7-5-4-6-18(21)16-32(3,30)31/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);4-12,22H,13-21H2,1-3H3;3-11,21,28H,12-20H2,1-2H3;2*2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34);4-6,15-16H,7-14,17H2,1-3H3,(H,29,33);4-10,15H,11-14,16-17H2,1-3H3,(H,26,29);4-11H,12-17H2,1-3H3,(H,26,29)
InChIKeyJYHSYIRESSEOHI-UHFFFAOYSA-N
XLogP31.13
TPSA557.12 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003834.84
LogP ≤ 531.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) with MolForge

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Launch Full Analysis

Related Compounds

CID 157131244
CID 157131244
CID 157170339
CID 157170339
1-(cyclopropylmethyl)-3-(2-fluoro-4-methylsulfonylphenyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide;8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-methylamino]acetamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]propanamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]thiophene-2-carboxamide
CID 157876308
CID 158070086
CID 158070086
CID 158100855
CID 158100855
CID 158283197
CID 158283197
CID 158503343
CID 158503343
8-(Dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
CID 158716837
CID 158769600
CID 158769600
3-[6-(4-Acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
CID 159046484
CID 159775852
CID 159775852
8-(Dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-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]pyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 160011477

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The IUPAC name of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (CID 159059775) is 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).
What is the SMILES notation for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The canonical SMILES for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is CC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2CC1CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The InChIKey is JYHSYIRESSEOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2.C28H37N3O3S.C27H35N3O3S.2C25H30F3N5O2.C25H33FN6O2.2C24H30FN3O3S/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-29(2)28(24-10-5-4-6-11-24)17-15-27(16-18-28)21-30(26(32)31(27)19-22-13-14-22)25-12-8-7-9-23(25)20-35(3,33)34;1-28-27(23-9-4-3-5-10-23)16-14-26(15-17-27)20-29(25(31)30(26)18-21-12-13-21)24-11-7-6-8-22(24)19-34(2,32)33;2*1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28;1-18-21(16-27-22(28-18)31-11-13-34-14-12-31)32-17-24(29-23(32)33)7-9-25(10-8-24,30(2)3)19-5-4-6-20(26)15-19;1-27(2)24(19-8-6-9-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)21-10-5-4-7-18(21)16-32(3,30)31;1-27(2)24(19-8-10-20(25)11-9-19)14-12-23(13-15-24)17-28(22(29)26-23)21-7-5-4-6-18(21)16-32(3,30)31/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);4-12,22H,13-21H2,1-3H3;3-11,21,28H,12-20H2,1-2H3;2*2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34);4-6,15-16H,7-14,17H2,1-3H3,(H,29,33);4-10,15H,11-14,16-17H2,1-3H3,(H,26,29);4-11H,12-17H2,1-3H3,(H,26,29).
What are the key properties of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) has a molecular weight of 3834.84 g/mol, XLogP of 31.13, 42 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 159059775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).