1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C229H293F7N44O19 — CID 160596144

IUPAC1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CN3CCOCC3)nc1)C(=O)N2.CN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1
InChIInChI=1S/C35H52N6O7.C26H32F3N5O2.C26H36N6O2.C25H34N6O2.C25H33N5O2.C24H28F3N5O.2C23H26N4O.C22H26FN3O/c1-39(2)35(28-8-5-4-6-9-28)14-12-33(13-15-35)26-40(32(43)41(33)27-34(44)10-7-11-34)29-24-37-30(38-25-29)31(42)36-16-17-46-20-21-48-23-22-47-19-18-45-3;1-2-32-25(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;1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21;1-29(2)25(20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-16-26-22(27-17-21)18-30-12-14-33-15-13-30;1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)25-22)20-11-7-6-8-18(20)16-24;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h4-6,8-9,24-25,44H,7,10-23,26-27H2,1-3H3,(H,36,42);3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33);3-7,16-17H,8-15,18-19H2,1-2H3,(H,28,32);3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;2*3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyRDQSPYBRNZOHOJ-UHFFFAOYSA-N
MW4099.14 g/mol
LogP33.08
Rot. Bonds53

About 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160596144) has the molecular formula C229H293F7N44O19 and a molecular weight of 4099.14 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160596144
Molecular FormulaC229H293F7N44O19
Molecular Weight4099.14 g/mol
Exact Mass4096.32
IUPAC Name1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CN3CCOCC3)nc1)C(=O)N2.CN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1
InChIInChI=1S/C35H52N6O7.C26H32F3N5O2.C26H36N6O2.C25H34N6O2.C25H33N5O2.C24H28F3N5O.2C23H26N4O.C22H26FN3O/c1-39(2)35(28-8-5-4-6-9-28)14-12-33(13-15-35)26-40(32(43)41(33)27-34(44)10-7-11-34)29-24-37-30(38-25-29)31(42)36-16-17-46-20-21-48-23-22-47-19-18-45-3;1-2-32-25(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;1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21;1-29(2)25(20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-16-26-22(27-17-21)18-30-12-14-33-15-13-30;1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)25-22)20-11-7-6-8-18(20)16-24;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h4-6,8-9,24-25,44H,7,10-23,26-27H2,1-3H3,(H,36,42);3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33);3-7,16-17H,8-15,18-19H2,1-2H3,(H,28,32);3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;2*3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27)
InChIKeyRDQSPYBRNZOHOJ-UHFFFAOYSA-N
XLogP33.08
TPSA665.34 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004099.14
LogP ≤ 533.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-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-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 160596144) is 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CN3CCOCC3)nc1)C(=O)N2.CN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is RDQSPYBRNZOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N6O7.C26H32F3N5O2.C26H36N6O2.C25H34N6O2.C25H33N5O2.C24H28F3N5O.2C23H26N4O.C22H26FN3O/c1-39(2)35(28-8-5-4-6-9-28)14-12-33(13-15-35)26-40(32(43)41(33)27-34(44)10-7-11-34)29-24-37-30(38-25-29)31(42)36-16-17-46-20-21-48-23-22-47-19-18-45-3;1-2-32-25(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;1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21;1-29(2)25(20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-16-26-22(27-17-21)18-30-12-14-33-15-13-30;1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20;1-28-23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-31(21(33)32(22)15-17-7-8-17)19-13-29-20(30-14-19)24(25,26)27;1-26(2)23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)25-22)20-11-7-6-8-18(20)16-24;1-26(2)23(19-6-4-3-5-7-19)14-12-22(13-15-23)17-27(21(28)25-22)20-10-8-18(16-24)9-11-20;1-25(2)22(17-6-4-3-5-7-17)14-12-21(13-15-22)16-26(20(27)24-21)19-10-8-18(23)9-11-19/h4-6,8-9,24-25,44H,7,10-23,26-27H2,1-3H3,(H,36,42);3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33);3-7,16-17H,8-15,18-19H2,1-2H3,(H,28,32);3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;2*3-11H,12-15,17H2,1-2H3,(H,25,28);3-11H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 4099.14 g/mol, XLogP of 33.08, 53 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-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;8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160596144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).