8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

C227H274F15N49O16S2 — CID 158059767

IUPAC8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
SMILESCN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCCC3)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2.C25H34N6O.C25H28N6O.C24H29N3O4.C23H26F2N4O2.C23H27FN4O2.2C22H26F3N5O.2C19H22F3N5OS/c1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-29(2)25(20-9-5-3-6-10-20)13-11-24(12-14-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-15-7-4-8-16-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21;1-26(2)24(18-8-4-3-5-9-18)14-12-23(13-15-24)17-27(22(30)25-23)19-10-6-7-11-20(19)31-16-21(28)29;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)14-29(21(31)27-22)19-17(24)12-15(20(26)30)13-18(19)25;1-27(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-28(21(30)26-22)19-9-8-16(20(25)29)14-18(19)24;2*1-29(2)21(12-16-6-4-3-5-7-16)10-8-20(9-11-21)15-30(19(31)28-20)17-13-26-18(27-14-17)22(23,24)25;2*1-26(2)18(14-4-3-9-29-14)7-5-17(6-8-18)12-27(16(28)25-17)13-10-23-15(24-11-13)19(20,21)22/h3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);3-7,12-13H,8-11,14H2,1-2H3,(H2,26,30)(H,27,31);3-9,14H,10-13,15H2,1-2H3,(H2,25,29)(H,26,30);2*3-7,13-14H,8-12,15H2,1-2H3,(H,28,31);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28)
InChIKeyFKMOBZQVQIAHAK-UHFFFAOYSA-N
MW4294.12 g/mol
LogP35.81
Rot. Bonds41

About 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 158059767) has the molecular formula C227H274F15N49O16S2 and a molecular weight of 4294.12 g/mol. Its IUPAC name is 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

Compound Name8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
PubChem CID158059767
Molecular FormulaC227H274F15N49O16S2
Molecular Weight4294.12 g/mol
Exact Mass4291.13
IUPAC Name8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
SMILESCN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCCC3)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2.C25H34N6O.C25H28N6O.C24H29N3O4.C23H26F2N4O2.C23H27FN4O2.2C22H26F3N5O.2C19H22F3N5OS/c1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-29(2)25(20-9-5-3-6-10-20)13-11-24(12-14-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-15-7-4-8-16-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21;1-26(2)24(18-8-4-3-5-9-18)14-12-23(13-15-24)17-27(22(30)25-23)19-10-6-7-11-20(19)31-16-21(28)29;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)14-29(21(31)27-22)19-17(24)12-15(20(26)30)13-18(19)25;1-27(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-28(21(30)26-22)19-9-8-16(20(25)29)14-18(19)24;2*1-29(2)21(12-16-6-4-3-5-7-16)10-8-20(9-11-21)15-30(19(31)28-20)17-13-26-18(27-14-17)22(23,24)25;2*1-26(2)18(14-4-3-9-29-14)7-5-17(6-8-18)12-27(16(28)25-17)13-10-23-15(24-11-13)19(20,21)22/h3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);3-7,12-13H,8-11,14H2,1-2H3,(H2,26,30)(H,27,31);3-9,14H,10-13,15H2,1-2H3,(H2,25,29)(H,26,30);2*3-7,13-14H,8-12,15H2,1-2H3,(H,28,31);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28)
InChIKeyFKMOBZQVQIAHAK-UHFFFAOYSA-N
XLogP35.81
TPSA697.57 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms309
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004294.12
LogP ≤ 535.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-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 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The IUPAC name of 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (CID 158059767) is 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).
What is the SMILES notation for 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The canonical SMILES for 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(Cc2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1OCC(=O)O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccccn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCCC3)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
The InChIKey is FKMOBZQVQIAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2.C25H34N6O.C25H28N6O.C24H29N3O4.C23H26F2N4O2.C23H27FN4O2.2C22H26F3N5O.2C19H22F3N5OS/c1-29(2)25(16-20-6-4-3-5-7-20)10-8-24(9-11-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-12-14-33-15-13-30;1-29(2)25(20-9-5-3-6-10-20)13-11-24(12-14-25)19-31(23(32)28-24)21-17-26-22(27-18-21)30-15-7-4-8-16-30;1-30(2)25(19-8-4-3-5-9-19)13-11-24(12-14-25)18-31(23(32)29-24)20-16-27-22(28-17-20)21-10-6-7-15-26-21;1-26(2)24(18-8-4-3-5-9-18)14-12-23(13-15-24)17-27(22(30)25-23)19-10-6-7-11-20(19)31-16-21(28)29;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)14-29(21(31)27-22)19-17(24)12-15(20(26)30)13-18(19)25;1-27(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-28(21(30)26-22)19-9-8-16(20(25)29)14-18(19)24;2*1-29(2)21(12-16-6-4-3-5-7-16)10-8-20(9-11-21)15-30(19(31)28-20)17-13-26-18(27-14-17)22(23,24)25;2*1-26(2)18(14-4-3-9-29-14)7-5-17(6-8-18)12-27(16(28)25-17)13-10-23-15(24-11-13)19(20,21)22/h3-7,17-18H,8-16,19H2,1-2H3,(H,28,32);3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,28,32);3-10,15-17H,11-14,18H2,1-2H3,(H,29,32);3-11H,12-17H2,1-2H3,(H,25,30)(H,28,29);3-7,12-13H,8-11,14H2,1-2H3,(H2,26,30)(H,27,31);3-9,14H,10-13,15H2,1-2H3,(H2,25,29)(H,26,30);2*3-7,13-14H,8-12,15H2,1-2H3,(H,28,31);2*3-4,9-11H,5-8,12H2,1-2H3,(H,25,28).
What are the key properties of 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?
8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) has a molecular weight of 4294.12 g/mol, XLogP of 35.81, 41 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetic acid;8-(dimethylamino)-8-phenyl-3-(2-piperidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 158059767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).