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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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

C240H307F9N56O16S — CID 160756699

IUPAC8-(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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1=CNC(C(F)(F)F)=NC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ncc(C#N)cn1)C(=O)N2CCCOC.COCCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2.Cc1nc(N2CCS(=O)(=O)CC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H34F3N5O2.C26H36N6O.C25H35N7O.C25H34N6O3S.C25H32N6O2.C24H32N6O2.C24H30N6O2.C22H25F3N4O.C22H25N5O.C21H24F3N5O/c1-32(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;1-29(2)26(21-7-5-4-6-8-21)13-11-25(12-14-26)20-32(24(33)28-25)22-9-10-23(27-19-22)31-17-15-30(3)16-18-31;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)31-15-13-30(3)14-16-31;1-19-21(17-26-22(27-19)30-13-15-35(33,34)16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-29(2)25(21-8-5-4-6-9-21)12-10-24(11-13-25)19-30(22-27-17-20(16-26)18-28-22)23(32)31(24)14-7-15-33-3;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-32-15-13-29;1-26-24(20-7-4-3-5-8-20)11-9-23(10-12-24)18-29(21-27-16-19(15-25)17-28-21)22(31)30(23)13-6-14-32-2;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-18(14-23)24-15-19;1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-5,7-8,15,36H,6,9-14,16-18H2,1-2H3,(H,30,31);4-10,19H,11-18,20H2,1-3H3,(H,28,33);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);4-6,8-9,17-18H,7,10-15,19H2,1-3H3;3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3;3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,15H,10-13,16H2,1-2H3,(H,25,28);3-7,12-13H,8-11,14H2,1-2H3,(H,27,30)
InChIKeyRXNISTJLGAXITK-UHFFFAOYSA-N
MW4435.52 g/mol
LogP32.31
Rot. Bonds44

About 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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

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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 (PubChem CID 160756699) has the molecular formula C240H307F9N56O16S and a molecular weight of 4435.52 g/mol. Its IUPAC name is 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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.

Molecular Properties

Compound Name8-(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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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
PubChem CID160756699
Molecular FormulaC240H307F9N56O16S
Molecular Weight4435.52 g/mol
Exact Mass4432.45
IUPAC Name8-(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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1=CNC(C(F)(F)F)=NC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ncc(C#N)cn1)C(=O)N2CCCOC.COCCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2.Cc1nc(N2CCS(=O)(=O)CC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H34F3N5O2.C26H36N6O.C25H35N7O.C25H34N6O3S.C25H32N6O2.C24H32N6O2.C24H30N6O2.C22H25F3N4O.C22H25N5O.C21H24F3N5O/c1-32(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;1-29(2)26(21-7-5-4-6-8-21)13-11-25(12-14-26)20-32(24(33)28-25)22-9-10-23(27-19-22)31-17-15-30(3)16-18-31;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)31-15-13-30(3)14-16-31;1-19-21(17-26-22(27-19)30-13-15-35(33,34)16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-29(2)25(21-8-5-4-6-9-21)12-10-24(11-13-25)19-30(22-27-17-20(16-26)18-28-22)23(32)31(24)14-7-15-33-3;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-32-15-13-29;1-26-24(20-7-4-3-5-8-20)11-9-23(10-12-24)18-29(21-27-16-19(15-25)17-28-21)22(31)30(23)13-6-14-32-2;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-18(14-23)24-15-19;1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-5,7-8,15,36H,6,9-14,16-18H2,1-2H3,(H,30,31);4-10,19H,11-18,20H2,1-3H3,(H,28,33);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);4-6,8-9,17-18H,7,10-15,19H2,1-3H3;3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3;3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,15H,10-13,16H2,1-2H3,(H,25,28);3-7,12-13H,8-11,14H2,1-2H3,(H,27,30)
InChIKeyRXNISTJLGAXITK-UHFFFAOYSA-N
XLogP32.31
TPSA728.83 Ų
H-Bond Donors10
H-Bond Acceptors52
Rotatable Bonds44
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004435.52
LogP ≤ 532.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1052

Analyze 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 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 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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?
The IUPAC name of 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 160756699) is 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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.
What is the SMILES notation for 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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?
The canonical SMILES for 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1=CNC(C(F)(F)F)=NC1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ncc(C#N)cn1)C(=O)N2CCCOC.COCCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2.Cc1nc(N2CCS(=O)(=O)CC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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?
The InChIKey is RXNISTJLGAXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O2.C26H36N6O.C25H35N7O.C25H34N6O3S.C25H32N6O2.C24H32N6O2.C24H30N6O2.C22H25F3N4O.C22H25N5O.C21H24F3N5O/c1-32(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;1-29(2)26(21-7-5-4-6-8-21)13-11-25(12-14-26)20-32(24(33)28-25)22-9-10-23(27-19-22)31-17-15-30(3)16-18-31;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)31-15-13-30(3)14-16-31;1-19-21(17-26-22(27-19)30-13-15-35(33,34)16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-29(2)25(21-8-5-4-6-9-21)12-10-24(11-13-25)19-30(22-27-17-20(16-26)18-28-22)23(32)31(24)14-7-15-33-3;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-32-15-13-29;1-26-24(20-7-4-3-5-8-20)11-9-23(10-12-24)18-29(21-27-16-19(15-25)17-28-21)22(31)30(23)13-6-14-32-2;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)17-8-9-18(26-14-17)22(23,24)25;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-18(14-23)24-15-19;1-28(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-29(18(30)27-19)16-12-25-17(26-13-16)21(22,23)24/h3-5,7-8,15,36H,6,9-14,16-18H2,1-2H3,(H,30,31);4-10,19H,11-18,20H2,1-3H3,(H,28,33);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);4-6,8-9,17-18H,7,10-15,19H2,1-3H3;3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3;3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,15H,10-13,16H2,1-2H3,(H,25,28);3-7,12-13H,8-11,14H2,1-2H3,(H,27,30).
What are the key properties of 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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?
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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 has a molecular weight of 4435.52 g/mol, XLogP of 32.31, 44 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-1,4-dihydropyrimidin-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-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;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 is sourced from PubChem (CID 160756699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).