(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C215H298N34O23S2 — CID 162133761

IUPAC(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCOC)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1C#N)C(=O)N2CC1CCC1.COCCN1C(=O)N(CC(=O)CCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccnc(CC(=O)CN2C[C@@]3(CC[C@@H](N(C)C)C(c4ccccc4)C3)N(CC3CCC3)C2=O)n1.CSc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.CSc1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/2C30H40N4O2S.C29H36N6O2.C29H39N5O3.C26H35N5O3.C24H36N4O4.C24H37N3O4.C23H35N3O3/c1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)37-3;1-32(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-12-13-27(37-3)19-31-25;1-33(2)29(24-9-4-3-5-10-24)13-11-28(12-14-29)20-34(27(37)35(28)18-22-7-6-8-22)19-25(36)15-26-23(16-30)17-31-21-32-26;1-32(2)25-12-14-29(17-24(25)22-10-5-4-6-11-22)20-33(28(36)34(29)18-21-8-7-9-21)19-23(35)16-26-30-15-13-27(31-26)37-3;1-29(2)26(21-7-5-4-6-8-21)12-10-25(11-13-26)19-30(24(33)31(25)15-16-34-3)18-23(32)17-22-9-14-27-20-28-22;1-26(2)24(19-7-5-4-6-8-19)13-11-23(12-14-24)18-27(17-20(29)9-10-21(25)30)22(31)28(23)15-16-32-3;1-25(2)24(20-8-5-4-6-9-20)13-11-23(12-14-24)19-26(18-21(29)10-7-16-28)22(30)27(23)15-17-31-3;1-5-20(27)17-25-18-22(26(21(25)28)15-16-29-4)11-13-23(14-12-22,24(2)3)19-9-7-6-8-10-19/h4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;3-5,9-10,17,21-22H,6-8,11-15,18-20H2,1-2H3;4-6,10-11,13,15,21,24-25H,7-9,12,14,16-20H2,1-3H3;4-9,14,20H,10-13,15-19H2,1-3H3;4-8H,9-18H2,1-3H3,(H2,25,30);4-6,8-9,28H,7,10-19H2,1-3H3;6-10H,5,11-18H2,1-4H3/t;;;24?,25-,29+;;;;/m...1..../s1
InChIKeyZIZPZBMIVKGMQU-MMKPEXHBSA-N
MW3791.10 g/mol
LogP28.30
Rot. Bonds72

About (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 162133761) has the molecular formula C215H298N34O23S2 and a molecular weight of 3791.10 g/mol. Its IUPAC name is (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID162133761
Molecular FormulaC215H298N34O23S2
Molecular Weight3791.10 g/mol
Exact Mass3788.26
IUPAC Name(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCOC)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1C#N)C(=O)N2CC1CCC1.COCCN1C(=O)N(CC(=O)CCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccnc(CC(=O)CN2C[C@@]3(CC[C@@H](N(C)C)C(c4ccccc4)C3)N(CC3CCC3)C2=O)n1.CSc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.CSc1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/2C30H40N4O2S.C29H36N6O2.C29H39N5O3.C26H35N5O3.C24H36N4O4.C24H37N3O4.C23H35N3O3/c1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)37-3;1-32(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-12-13-27(37-3)19-31-25;1-33(2)29(24-9-4-3-5-10-24)13-11-28(12-14-29)20-34(27(37)35(28)18-22-7-6-8-22)19-25(36)15-26-23(16-30)17-31-21-32-26;1-32(2)25-12-14-29(17-24(25)22-10-5-4-6-11-22)20-33(28(36)34(29)18-21-8-7-9-21)19-23(35)16-26-30-15-13-27(31-26)37-3;1-29(2)26(21-7-5-4-6-8-21)12-10-25(11-13-26)19-30(24(33)31(25)15-16-34-3)18-23(32)17-22-9-14-27-20-28-22;1-26(2)24(19-7-5-4-6-8-19)13-11-23(12-14-24)18-27(17-20(29)9-10-21(25)30)22(31)28(23)15-16-32-3;1-25(2)24(20-8-5-4-6-9-20)13-11-23(12-14-24)19-26(18-21(29)10-7-16-28)22(30)27(23)15-17-31-3;1-5-20(27)17-25-18-22(26(21(25)28)15-16-29-4)11-13-23(14-12-22,24(2)3)19-9-7-6-8-10-19/h4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;3-5,9-10,17,21-22H,6-8,11-15,18-20H2,1-2H3;4-6,10-11,13,15,21,24-25H,7-9,12,14,16-20H2,1-3H3;4-9,14,20H,10-13,15-19H2,1-3H3;4-8H,9-18H2,1-3H3,(H2,25,30);4-6,8-9,28H,7,10-19H2,1-3H3;6-10H,5,11-18H2,1-4H3/t;;;24?,25-,29+;;;;/m...1..../s1
InChIKeyZIZPZBMIVKGMQU-MMKPEXHBSA-N
XLogP28.30
TPSA587.26 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds72
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003791.10
LogP ≤ 528.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 162133761) is (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CCOC)C1=O.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1C#N)C(=O)N2CC1CCC1.COCCN1C(=O)N(CC(=O)CCC(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)CCCO)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.COc1ccnc(CC(=O)CN2C[C@@]3(CC[C@@H](N(C)C)C(c4ccccc4)C3)N(CC3CCC3)C2=O)n1.CSc1ccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)nc1.CSc1cccc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.
What is the InChIKey of (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZIZPZBMIVKGMQU-MMKPEXHBSA-N. The full InChI is InChI=1S/2C30H40N4O2S.C29H36N6O2.C29H39N5O3.C26H35N5O3.C24H36N4O4.C24H37N3O4.C23H35N3O3/c1-32(2)30(24-11-5-4-6-12-24)17-15-29(16-18-30)22-33(28(36)34(29)20-23-9-7-10-23)21-26(35)19-25-13-8-14-27(31-25)37-3;1-32(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)22-33(28(36)34(29)20-23-8-7-9-23)21-26(35)18-25-12-13-27(37-3)19-31-25;1-33(2)29(24-9-4-3-5-10-24)13-11-28(12-14-29)20-34(27(37)35(28)18-22-7-6-8-22)19-25(36)15-26-23(16-30)17-31-21-32-26;1-32(2)25-12-14-29(17-24(25)22-10-5-4-6-11-22)20-33(28(36)34(29)18-21-8-7-9-21)19-23(35)16-26-30-15-13-27(31-26)37-3;1-29(2)26(21-7-5-4-6-8-21)12-10-25(11-13-26)19-30(24(33)31(25)15-16-34-3)18-23(32)17-22-9-14-27-20-28-22;1-26(2)24(19-7-5-4-6-8-19)13-11-23(12-14-24)18-27(17-20(29)9-10-21(25)30)22(31)28(23)15-16-32-3;1-25(2)24(20-8-5-4-6-9-20)13-11-23(12-14-24)19-26(18-21(29)10-7-16-28)22(30)27(23)15-17-31-3;1-5-20(27)17-25-18-22(26(21(25)28)15-16-29-4)11-13-23(14-12-22,24(2)3)19-9-7-6-8-10-19/h4-6,8,11-14,23H,7,9-10,15-22H2,1-3H3;4-6,10-13,19,23H,7-9,14-18,20-22H2,1-3H3;3-5,9-10,17,21-22H,6-8,11-15,18-20H2,1-2H3;4-6,10-11,13,15,21,24-25H,7-9,12,14,16-20H2,1-3H3;4-9,14,20H,10-13,15-19H2,1-3H3;4-8H,9-18H2,1-3H3,(H2,25,30);4-6,8-9,28H,7,10-19H2,1-3H3;6-10H,5,11-18H2,1-4H3/t;;;24?,25-,29+;;;;/m...1..../s1.
What are the key properties of (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
(5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3791.10 g/mol, XLogP of 28.30, 72 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-7-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methylsulfanyl-2-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]pyrimidine-5-carbonitrile;8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-1-(2-methoxyethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide;8-(dimethylamino)-1-(2-methoxyethyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 162133761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).