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

C74H88F12N16O7 — CID 159179305

IUPAC3-[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
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(CCO)c1nc(C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H35FN6O2.C25H29F4N5O3.C23H24F7N5O2/c1-31(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;1-34(2)21(14-4-3-5-15(24)10-14)8-6-20(7-9-21)12-35(19(36)33-20)16-11-31-18(23(28,29)30)32-17(16)37-13-22(25,26)27/h4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);3-5,10-11H,6-9,12-13H2,1-2H3,(H,33,36)
InChIKeyKMRKWVZXGMSEQB-UHFFFAOYSA-N
MW1541.60 g/mol
LogP12.06
Rot. Bonds18

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;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

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 (PubChem CID 159179305) has the molecular formula C74H88F12N16O7 and a molecular weight of 1541.60 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;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.

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;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
PubChem CID159179305
Molecular FormulaC74H88F12N16O7
Molecular Weight1541.60 g/mol
Exact Mass1540.68
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;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
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(CCO)c1nc(C2CC2)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H35FN6O2.C25H29F4N5O3.C23H24F7N5O2/c1-31(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;1-34(2)21(14-4-3-5-15(24)10-14)8-6-20(7-9-21)12-35(19(36)33-20)16-11-31-18(23(28,29)30)32-17(16)37-13-22(25,26)27/h4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);3-5,10-11H,6-9,12-13H2,1-2H3,(H,33,36)
InChIKeyKMRKWVZXGMSEQB-UHFFFAOYSA-N
XLogP12.06
TPSA235.24 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.60
LogP ≤ 512.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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;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 with MolForge

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Related Compounds

3-[2-Cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201193
8-(Dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 130201262
8-(Dimethylamino)-8-(3-fluorophenyl)-3-[4-(oxetan-3-ylmethoxy)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-ol
CID 155214906
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
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
2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;1-(cyclobutylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-(4-methoxybutyl)-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
CID 161314623
Bis(7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one);2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 159968668
4-[1-(Cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;4-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;4-methoxy-5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 160422807
Bis(5-(cyclobutylmethyl)-2-(dimethylamino)-7-(2-isocyano-4-methoxypyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one);2-(dimethylamino)-7-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 160816343
8-(Dimethylamino)-3-(2-isocyano-4-methoxypyrimidin-5-yl)-1-(3-methoxypropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(2-isocyano-4-methoxypyrimidin-5-yl)-1-(3-methoxypropyl)-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 161667481

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;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?
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;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) 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;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.
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;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?
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;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 is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC(F)(F)F)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1OCC1COC1)C(=O)N2.CN(CCO)c1nc(C2CC2)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;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?
The InChIKey is KMRKWVZXGMSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O2.C25H29F4N5O3.C23H24F7N5O2/c1-31(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;1-34(2)21(14-4-3-5-15(24)10-14)8-6-20(7-9-21)12-35(19(36)33-20)16-11-31-18(23(28,29)30)32-17(16)37-13-22(25,26)27/h4-6,15-16,18,34H,7-14,17H2,1-3H3,(H,30,35);3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,32,35);3-5,10-11H,6-9,12-13H2,1-2H3,(H,33,36).
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;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?
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 has a molecular weight of 1541.60 g/mol, XLogP of 12.06, 18 rotatable bonds, 4 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 159179305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).