3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide

C224H281F21N48O19S — CID 158168757

IUPAC3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(CCO)c1nc(C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(OC2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.2C25H29F4N5O2.C24H30FN5O2.C23H29F4N5O3S.C23H30FN5O/c1-18-21(16-29-23(30-18)33(7)22(35)25(2,3)4)34-17-26(31-24(34)36)11-13-27(14-12-26,32(5)6)19-9-8-10-20(28)15-19;1-17-21(15-28-23(29-17)32(4)22(34)18-8-9-18)33-16-25(30-24(33)35)10-12-26(13-11-25,31(2)3)19-6-5-7-20(27)14-19;1-31(2)26(19-5-4-6-20(27)15-19)11-9-25(10-12-26)17-33(24(35)30-25)21-16-28-22(18-7-8-18)29-23(21)32(3)13-14-34;1-33(2)24(17-4-3-5-18(26)10-17)8-6-23(7-9-24)15-34(22(35)32-23)19-11-30-21(25(27,28)29)31-20(19)37-14-16-12-36-13-16;2*1-33(2)24(17-4-3-5-18(26)12-17)10-8-23(9-11-24)14-34(22(35)32-23)19-13-30-20(16-6-7-16)31-21(19)36-15-25(27,28)29;1-16-20(14-26-21(27-16)32-19-7-8-19)30-15-23(28-22(30)31)9-11-24(12-10-23,29(2)3)17-5-4-6-18(25)13-17;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h8-10,15-16H,11-14,17H2,1-7H3,(H,31,36);5-7,14-15,18H,8-13,16H2,1-4H3,(H,30,35);4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);2*3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);4-6,13-14,19H,7-12,15H2,1-3H3,(H,28,31);4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30)
InChIKeyFXEJYNGBDLBSFD-UHFFFAOYSA-N
MW4381.05 g/mol
LogP35.41
Rot. Bonds49

About 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide

3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide (PubChem CID 158168757) has the molecular formula C224H281F21N48O19S and a molecular weight of 4381.05 g/mol. Its IUPAC name is 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide
PubChem CID158168757
Molecular FormulaC224H281F21N48O19S
Molecular Weight4381.05 g/mol
Exact Mass4378.19
IUPAC Name3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(CCO)c1nc(C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(OC2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.2C25H29F4N5O2.C24H30FN5O2.C23H29F4N5O3S.C23H30FN5O/c1-18-21(16-29-23(30-18)33(7)22(35)25(2,3)4)34-17-26(31-24(34)36)11-13-27(14-12-26,32(5)6)19-9-8-10-20(28)15-19;1-17-21(15-28-23(29-17)32(4)22(34)18-8-9-18)33-16-25(30-24(33)35)10-12-26(13-11-25,31(2)3)19-6-5-7-20(27)14-19;1-31(2)26(19-5-4-6-20(27)15-19)11-9-25(10-12-26)17-33(24(35)30-25)21-16-28-22(18-7-8-18)29-23(21)32(3)13-14-34;1-33(2)24(17-4-3-5-18(26)10-17)8-6-23(7-9-24)15-34(22(35)32-23)19-11-30-21(25(27,28)29)31-20(19)37-14-16-12-36-13-16;2*1-33(2)24(17-4-3-5-18(26)12-17)10-8-23(9-11-24)14-34(22(35)32-23)19-13-30-20(16-6-7-16)31-21(19)36-15-25(27,28)29;1-16-20(14-26-21(27-16)32-19-7-8-19)30-15-23(28-22(30)31)9-11-24(12-10-23,29(2)3)17-5-4-6-18(25)13-17;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h8-10,15-16H,11-14,17H2,1-7H3,(H,31,36);5-7,14-15,18H,8-13,16H2,1-4H3,(H,30,35);4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);2*3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);4-6,13-14,19H,7-12,15H2,1-3H3,(H,28,31);4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30)
InChIKeyFXEJYNGBDLBSFD-UHFFFAOYSA-N
XLogP35.41
TPSA688.66 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds49
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004381.05
LogP ≤ 535.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide (CID 158168757) is 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide is CCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C3CC3)nc1OCC(F)(F)F)C(=O)N2.CN(CCO)c1nc(C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C(C)(C)C)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N(C)C(=O)C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(OC2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The InChIKey is FXEJYNGBDLBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.2C25H29F4N5O2.C24H30FN5O2.C23H29F4N5O3S.C23H30FN5O/c1-18-21(16-29-23(30-18)33(7)22(35)25(2,3)4)34-17-26(31-24(34)36)11-13-27(14-12-26,32(5)6)19-9-8-10-20(28)15-19;1-17-21(15-28-23(29-17)32(4)22(34)18-8-9-18)33-16-25(30-24(33)35)10-12-26(13-11-25,31(2)3)19-6-5-7-20(27)14-19;1-31(2)26(19-5-4-6-20(27)15-19)11-9-25(10-12-26)17-33(24(35)30-25)21-16-28-22(18-7-8-18)29-23(21)32(3)13-14-34;1-33(2)24(17-4-3-5-18(26)10-17)8-6-23(7-9-24)15-34(22(35)32-23)19-11-30-21(25(27,28)29)31-20(19)37-14-16-12-36-13-16;2*1-33(2)24(17-4-3-5-18(26)12-17)10-8-23(9-11-24)14-34(22(35)32-23)19-13-30-20(16-6-7-16)31-21(19)36-15-25(27,28)29;1-16-20(14-26-21(27-16)32-19-7-8-19)30-15-23(28-22(30)31)9-11-24(12-10-23,29(2)3)17-5-4-6-18(25)13-17;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17/h8-10,15-16H,11-14,17H2,1-7H3,(H,31,36);5-7,14-15,18H,8-13,16H2,1-4H3,(H,30,35);4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);2*3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);4-6,13-14,19H,7-12,15H2,1-3H3,(H,28,31);4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30).
What are the key properties of 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide?
3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide has a molecular weight of 4381.05 g/mol, XLogP of 35.41, 49 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;3-(2-cyclopropyloxy-4-methylpyrimidin-5-yl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;bis(3-[2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyrimidin-2-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 158168757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).