3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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

C153H191F15N34O12 — CID 157477821

IUPAC3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1N1CCC1)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(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
InChIInChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.C25H29F4N5O2.C24H28F4N6O/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;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;1-32(2)23(16-5-3-6-17(25)13-16)9-7-22(8-10-23)15-34(21(35)31-22)18-14-29-20(24(26,27)28)30-19(18)33-11-4-12-33/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);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,31,35)
InChIKeyBVUMUTUHZGPETQ-UHFFFAOYSA-N
MW2983.41 g/mol
LogP23.89
Rot. Bonds32

About 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 157477821) has the molecular formula C153H191F15N34O12 and a molecular weight of 2983.41 g/mol. Its IUPAC name is 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 CID157477821
Molecular FormulaC153H191F15N34O12
Molecular Weight2983.41 g/mol
Exact Mass2981.51
IUPAC Name3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1N1CCC1)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(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
InChIInChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.C25H29F4N5O2.C24H28F4N6O/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;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;1-32(2)23(16-5-3-6-17(25)13-16)9-7-22(8-10-23)15-34(21(35)31-22)18-14-29-20(24(26,27)28)30-19(18)33-11-4-12-33/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);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,31,35)
InChIKeyBVUMUTUHZGPETQ-UHFFFAOYSA-N
XLogP23.89
TPSA463.18 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002983.41
LogP ≤ 523.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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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Related Compounds

3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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;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)-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 157092298
CID 158168757
CID 158168757
CID 158546087
CID 158546087
3-[2-Cyclopropyl-4-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 159179305
5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 157672073
5-[1-(Cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrazine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 158478385
CID 160460456
CID 160460456
CID 161425412
CID 161425412

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 157477821) is 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1N1CCC1)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(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.
What is the InChIKey of 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 BVUMUTUHZGPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN6O2.C26H33FN6O2.C26H35FN6O2.C25H29F4N5O3.C25H29F4N5O2.C24H28F4N6O/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;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;1-32(2)23(16-5-3-6-17(25)13-16)9-7-22(8-10-23)15-34(21(35)31-22)18-14-29-20(24(26,27)28)30-19(18)33-11-4-12-33/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);3-5,12-13,16H,6-11,14-15H2,1-2H3,(H,32,35);3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,31,35).
What are the key properties of 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 2983.41 g/mol, XLogP of 23.89, 32 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-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 157477821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).