1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C230H272F8N40O16S2 — CID 158496082

IUPAC1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(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(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1
InChIInChI=1S/C26H29N5O.C24H28F3N5O2.C24H28F3N5O.C23H26N4O2.C23H26N4O.2C23H29N3O3S.2C22H26FN3O.C20H25N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20;1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;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;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;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)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23;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;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32);2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);3-11H,12-15,17H2,1-2H3,(H,25,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);2*3-11H,12-16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyHJHQRFJJIJNNHU-UHFFFAOYSA-N
MW4069.09 g/mol
LogP38.02
Rot. Bonds38

About 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158496082) has the molecular formula C230H272F8N40O16S2 and a molecular weight of 4069.09 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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID158496082
Molecular FormulaC230H272F8N40O16S2
Molecular Weight4069.09 g/mol
Exact Mass4066.10
IUPAC Name1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(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(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1
InChIInChI=1S/C26H29N5O.C24H28F3N5O2.C24H28F3N5O.C23H26N4O2.C23H26N4O.2C23H29N3O3S.2C22H26FN3O.C20H25N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20;1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;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;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;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)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23;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;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32);2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);3-11H,12-15,17H2,1-2H3,(H,25,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);2*3-11H,12-16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyHJHQRFJJIJNNHU-UHFFFAOYSA-N
XLogP38.02
TPSA602.03 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004069.09
LogP ≤ 538.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 158496082) is 1-(cyclopropylmethyl)-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is 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(c1ccc(S(C)(=O)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(S(C)(=O)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccnn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccc3)nc1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1OC)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1COC1.
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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HJHQRFJJIJNNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C24H28F3N5O2.C24H28F3N5O.C23H26N4O2.C23H26N4O.2C23H29N3O3S.2C22H26FN3O.C20H25N5O/c1-30(2)26(21-11-7-4-8-12-21)15-13-25(14-16-26)19-31(24(32)29-25)22-17-27-23(28-18-22)20-9-5-3-6-10-20;1-28-23(18-5-3-2-4-6-18)9-7-22(8-10-23)16-31(21(33)32(22)13-17-14-34-15-17)19-11-29-20(30-12-19)24(25,26)27;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;1-25-23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-27(21(28)26-22)19-9-8-17(15-24)14-20(19)29-2;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)23(18-8-5-4-6-9-18)14-12-22(13-15-23)17-26(21(27)24-22)19-10-7-11-20(16-19)30(3,28)29;1-25(2)23(18-7-5-4-6-8-18)15-13-22(14-16-23)17-26(21(27)24-22)19-9-11-20(12-10-19)30(3,28)29;1-25(2)22(17-8-4-3-5-9-17)14-12-21(13-15-22)16-26(20(27)24-21)19-11-7-6-10-18(19)23;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;1-24(2)20(16-7-4-3-5-8-16)12-10-19(11-13-20)15-25(18(26)22-19)17-9-6-14-21-23-17/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32);2-6,11-12,17,28H,7-10,13-16H2,1H3;2-6,13-14,17,28H,7-12,15-16H2,1H3;3-9,14,25H,10-13,16H2,1-2H3,(H,26,28);3-11H,12-15,17H2,1-2H3,(H,25,28);4-11,16H,12-15,17H2,1-3H3,(H,24,27);4-12H,13-17H2,1-3H3,(H,24,27);2*3-11H,12-16H2,1-2H3,(H,24,27);3-9,14H,10-13,15H2,1-2H3,(H,22,26).
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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 4069.09 g/mol, XLogP of 38.02, 38 rotatable bonds, 11 hydrogen bond donors, and 36 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-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-pyridazin-3-yl-1,3-diazaspiro[4.5]decan-2-one;3-methoxy-4-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(methylamino)-1-(oxetan-3-ylmethyl)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158496082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).