8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)

C242H291F3N50O17S2 — CID 160820980

IUPAC8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.C24H28F3N5O.C24H33N7O.2C23H28N4O2.2C23H26N4O.C23H29N3O3S/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)30-13-15-31(16-14-30)36(3,34)35;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27;1-29(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-31(22(32)28-23)20-16-26-21(27-17-20)30-14-12-25-13-15-30;2*1-2-25-23(17-8-4-3-5-9-17)14-12-22(13-15-23)16-27(21(29)26-22)19-11-7-6-10-18(19)20(24)28;2*1-2-25-23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)26-22)20-11-7-6-8-18(20)16-24;1-25(2)23(18-9-5-4-6-10-18)15-13-22(14-16-23)17-26(21(27)24-22)19-11-7-8-12-20(19)30(3,28)29/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33);3-7,16-17,25H,8-15,18H2,1-2H3,(H,28,32);2*3-11,25H,2,12-16H2,1H3,(H2,24,28)(H,26,29);2*3-11,25H,2,12-15,17H2,1H3,(H,26,28);4-12H,13-17H2,1-3H3,(H,24,27)
InChIKeySFNWCPPRYFLNFK-UHFFFAOYSA-N
MW4293.45 g/mol
LogP33.94
Rot. Bonds45

About 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)

8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) (PubChem CID 160820980) has the molecular formula C242H291F3N50O17S2 and a molecular weight of 4293.45 g/mol. Its IUPAC name is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile).

Molecular Properties

Compound Name8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
PubChem CID160820980
Molecular FormulaC242H291F3N50O17S2
Molecular Weight4293.45 g/mol
Exact Mass4290.28
IUPAC Name8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.C24H28F3N5O.C24H33N7O.2C23H28N4O2.2C23H26N4O.C23H29N3O3S/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)30-13-15-31(16-14-30)36(3,34)35;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27;1-29(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-31(22(32)28-23)20-16-26-21(27-17-20)30-14-12-25-13-15-30;2*1-2-25-23(17-8-4-3-5-9-17)14-12-22(13-15-23)16-27(21(29)26-22)19-11-7-6-10-18(19)20(24)28;2*1-2-25-23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)26-22)20-11-7-6-8-18(20)16-24;1-25(2)23(18-9-5-4-6-10-18)15-13-22(14-16-23)17-26(21(27)24-22)19-11-7-8-12-20(19)30(3,28)29/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33);3-7,16-17,25H,8-15,18H2,1-2H3,(H,28,32);2*3-11,25H,2,12-16H2,1H3,(H2,24,28)(H,26,29);2*3-11,25H,2,12-15,17H2,1H3,(H,26,28);4-12H,13-17H2,1-3H3,(H,24,27)
InChIKeySFNWCPPRYFLNFK-UHFFFAOYSA-N
XLogP33.94
TPSA810.53 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms314
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004293.45
LogP ≤ 533.94
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Analyze 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?
The IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) (CID 160820980) is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile).
What is the SMILES notation for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?
The canonical SMILES for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) is CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C#N)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?
The InChIKey is SFNWCPPRYFLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.C24H28F3N5O.C24H33N7O.2C23H28N4O2.2C23H26N4O.C23H29N3O3S/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)30-13-15-31(16-14-30)36(3,34)35;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27;1-29(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-31(22(32)28-23)20-16-26-21(27-17-20)30-14-12-25-13-15-30;2*1-2-25-23(17-8-4-3-5-9-17)14-12-22(13-15-23)16-27(21(29)26-22)19-11-7-6-10-18(19)20(24)28;2*1-2-25-23(19-9-4-3-5-10-19)14-12-22(13-15-23)17-27(21(28)26-22)20-11-7-6-8-18(20)16-24;1-25(2)23(18-9-5-4-6-10-18)15-13-22(14-16-23)17-26(21(27)24-22)19-11-7-8-12-20(19)30(3,28)29/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33);3-7,16-17,25H,8-15,18H2,1-2H3,(H,28,32);2*3-11,25H,2,12-16H2,1H3,(H2,24,28)(H,26,29);2*3-11,25H,2,12-15,17H2,1H3,(H,26,28);4-12H,13-17H2,1-3H3,(H,24,27).
What are the key properties of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile)?
8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) has a molecular weight of 4293.45 g/mol, XLogP of 33.94, 45 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide);bis(2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile) is sourced from PubChem (CID 160820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).