About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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 (PubChem CID 159805073) has the molecular formula C118H155N19O9S2
and a molecular weight of 2047.80 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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.
Frequently Asked Questions
What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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 (CID 159805073) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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 is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Cc1ncncc1C#N)C(=O)N2CC1CCC1.COc1ccnc(CC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)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 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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?
The InChIKey is NKHBOHKZEFZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H40N4O2S.C29H36N6O2.C29H39N5O3/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)29(23-10-5-4-6-11-23)15-13-28(14-16-29)21-33(27(36)34(28)19-22-8-7-9-22)20-24(35)18-25-30-17-12-26(31-25)37-3/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;4-6,10-12,17,22H,7-9,13-16,18-21H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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 has a molecular weight of 2047.80 g/mol, XLogP of 18.12, 35 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(4-methoxypyrimidin-2-yl)-2-oxopropyl]-8-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 is sourced from PubChem (CID 159805073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).