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)

C205H259F9N40O17S2 — CID 159046484

IUPAC3-[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)
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)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(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.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O.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;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22;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);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33);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)
InChIKeyJWSJPJAUBDJAGS-UHFFFAOYSA-N
MW3790.71 g/mol
LogP29.67
Rot. Bonds36

About 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)

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) (PubChem CID 159046484) has the molecular formula C205H259F9N40O17S2 and a molecular weight of 3790.71 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;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).

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;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)
PubChem CID159046484
Molecular FormulaC205H259F9N40O17S2
Molecular Weight3790.71 g/mol
Exact Mass3787.99
IUPAC Name3-[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)
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)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(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.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O.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;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22;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);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33);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)
InChIKeyJWSJPJAUBDJAGS-UHFFFAOYSA-N
XLogP29.67
TPSA572.74 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003790.71
LogP ≤ 529.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 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) with MolForge

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Launch Full Analysis

Related Compounds

CID 157131244
CID 157131244
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
CID 157594521
CID 157594521
CID 158070086
CID 158070086
CID 158100855
CID 158100855
CID 158283197
CID 158283197
CID 158503343
CID 158503343
7-(1,1-Dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-(2-hydroxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxan-4-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 158504098
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
8-(Dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-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
CID 158793673
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

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;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)?
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;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) is 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).
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;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)?
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;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) is CC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)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(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.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.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;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)?
The InChIKey is JWSJPJAUBDJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O.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;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22;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);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33);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;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)?
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) has a molecular weight of 3790.71 g/mol, XLogP of 29.67, 36 rotatable bonds, 8 hydrogen bond donors, and 39 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;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) is sourced from PubChem (CID 159046484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).