3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide

C217H273F5N48O17 — CID 158336188

IUPAC3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ncc4ccccc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C30H44N6O6.C28H34N6O.C27H29N7O.C23H32N6O2.C23H31N5O2.C23H28N4O2.C22H24F4N4O.C21H27N5O.C20H24FN5O/c1-35(2)30(24-7-5-4-6-8-24)11-9-29(10-12-30)23-36(28(38)34-29)25-21-32-26(33-22-25)27(37)31-13-14-40-17-18-42-20-19-41-16-15-39-3;1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)27(21-9-4-3-5-10-21)14-12-26(13-15-27)19-33(25(35)31-26)22-17-28-24(29-18-22)34-23-11-7-6-8-20(23)16-30-34;1-27(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(31)26-22)19-15-24-20(25-16-19)28(3)13-14-30;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;1-26(2)23(18-8-4-3-5-9-18)13-11-22(12-14-23)16-27(21(29)25-22)19-10-6-7-17(15-19)20(24)28;1-29(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-30(19(31)28-20)18-17(23)12-16(13-27-18)22(24,25)26;1-16-13-23-18(14-22-16)26-15-20(24-19(26)27)9-11-21(12-10-20,25(2)3)17-7-5-4-6-8-17;1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h4-8,21-22H,9-20,23H2,1-3H3,(H,31,37)(H,34,38);4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-11,16-18H,12-15,19H2,1-2H3,(H,31,35);4-8,15-16,30H,9-14,17H2,1-3H3,(H,26,31);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);3-10,15H,11-14,16H2,1-2H3,(H2,24,28)(H,25,29);3-7,12-13H,8-11,14H2,1-2H3,(H,28,31);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27);3-7,12,14H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyGQPLGPWRLPYEAN-UHFFFAOYSA-N
MW3920.88 g/mol
LogP29.26
Rot. Bonds51

About 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide

3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide (PubChem CID 158336188) has the molecular formula C217H273F5N48O17 and a molecular weight of 3920.88 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
PubChem CID158336188
Molecular FormulaC217H273F5N48O17
Molecular Weight3920.88 g/mol
Exact Mass3918.19
IUPAC Name3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ncc4ccccc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C30H44N6O6.C28H34N6O.C27H29N7O.C23H32N6O2.C23H31N5O2.C23H28N4O2.C22H24F4N4O.C21H27N5O.C20H24FN5O/c1-35(2)30(24-7-5-4-6-8-24)11-9-29(10-12-30)23-36(28(38)34-29)25-21-32-26(33-22-25)27(37)31-13-14-40-17-18-42-20-19-41-16-15-39-3;1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)27(21-9-4-3-5-10-21)14-12-26(13-15-27)19-33(25(35)31-26)22-17-28-24(29-18-22)34-23-11-7-6-8-20(23)16-30-34;1-27(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(31)26-22)19-15-24-20(25-16-19)28(3)13-14-30;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;1-26(2)23(18-8-4-3-5-9-18)13-11-22(12-14-23)16-27(21(29)25-22)19-10-6-7-17(15-19)20(24)28;1-29(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-30(19(31)28-20)18-17(23)12-16(13-27-18)22(24,25)26;1-16-13-23-18(14-22-16)26-15-20(24-19(26)27)9-11-21(12-10-20,25(2)3)17-7-5-4-6-8-17;1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h4-8,21-22H,9-20,23H2,1-3H3,(H,31,37)(H,34,38);4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-11,16-18H,12-15,19H2,1-2H3,(H,31,35);4-8,15-16,30H,9-14,17H2,1-3H3,(H,26,31);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);3-10,15H,11-14,16H2,1-2H3,(H2,24,28)(H,25,29);3-7,12-13H,8-11,14H2,1-2H3,(H,28,31);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27);3-7,12,14H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyGQPLGPWRLPYEAN-UHFFFAOYSA-N
XLogP29.26
TPSA687.44 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds51
Heavy Atoms287
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003920.88
LogP ≤ 529.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide (CID 158336188) is 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C(N)=O)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ncc4ccccc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncncc1F)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COCCOCCOCCOCCNC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cnc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide?
The InChIKey is GQPLGPWRLPYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O6.C28H34N6O.C27H29N7O.C23H32N6O2.C23H31N5O2.C23H28N4O2.C22H24F4N4O.C21H27N5O.C20H24FN5O/c1-35(2)30(24-7-5-4-6-8-24)11-9-29(10-12-30)23-36(28(38)34-29)25-21-32-26(33-22-25)27(37)31-13-14-40-17-18-42-20-19-41-16-15-39-3;1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)27(21-9-4-3-5-10-21)14-12-26(13-15-27)19-33(25(35)31-26)22-17-28-24(29-18-22)34-23-11-7-6-8-20(23)16-30-34;1-27(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(31)26-22)19-15-24-20(25-16-19)28(3)13-14-30;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;1-26(2)23(18-8-4-3-5-9-18)13-11-22(12-14-23)16-27(21(29)25-22)19-10-6-7-17(15-19)20(24)28;1-29(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-30(19(31)28-20)18-17(23)12-16(13-27-18)22(24,25)26;1-16-13-23-18(14-22-16)26-15-20(24-19(26)27)9-11-21(12-10-20,25(2)3)17-7-5-4-6-8-17;1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)13-26(18(27)24-19)17-16(21)12-22-14-23-17/h4-8,21-22H,9-20,23H2,1-3H3,(H,31,37)(H,34,38);4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-11,16-18H,12-15,19H2,1-2H3,(H,31,35);4-8,15-16,30H,9-14,17H2,1-3H3,(H,26,31);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);3-10,15H,11-14,16H2,1-2H3,(H2,24,28)(H,25,29);3-7,12-13H,8-11,14H2,1-2H3,(H,28,31);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27);3-7,12,14H,8-11,13H2,1-2H3,(H,24,27).
What are the key properties of 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide?
3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide has a molecular weight of 3920.88 g/mol, XLogP of 29.26, 51 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 158336188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).