3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate

C100H118F2N18O8S — CID 159473292

IUPAC3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2.COC(=O)COc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H27F2N5O.C25H28N4OS.C25H31N3O4.C24H32N6O2/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18;1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19;1-27(2)25(19-9-5-4-6-10-19)15-13-24(14-16-25)18-28(23(30)26-24)20-11-7-8-12-21(20)32-17-22(29)31-3;1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34);3-11,16-17H,12-15,18H2,1-2H3,(H,27,30);4-12H,13-18H2,1-3H3,(H,26,30);3-8,13H,9-12,14-18H2,1-2H3,(H,27,31)
InChIKeyLWBITYPWICMMOX-UHFFFAOYSA-N
MW1770.22 g/mol
LogP15.98
Rot. Bonds18

About 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate

3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate (PubChem CID 159473292) has the molecular formula C100H118F2N18O8S and a molecular weight of 1770.22 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate
PubChem CID159473292
Molecular FormulaC100H118F2N18O8S
Molecular Weight1770.22 g/mol
Exact Mass1768.91
IUPAC Name3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2.COC(=O)COc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H27F2N5O.C25H28N4OS.C25H31N3O4.C24H32N6O2/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18;1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19;1-27(2)25(19-9-5-4-6-10-19)15-13-24(14-16-25)18-28(23(30)26-24)20-11-7-8-12-21(20)32-17-22(29)31-3;1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34);3-11,16-17H,12-15,18H2,1-2H3,(H,27,30);4-12H,13-18H2,1-3H3,(H,26,30);3-8,13H,9-12,14-18H2,1-2H3,(H,27,31)
InChIKeyLWBITYPWICMMOX-UHFFFAOYSA-N
XLogP15.98
TPSA254.77 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.22
LogP ≤ 515.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate?
The IUPAC name of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate (CID 159473292) is 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccnc(N3CCOCC3)n1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccc(F)c(F)c3)nc1)C(=O)N2.COC(=O)COc1ccccc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate?
The InChIKey is LWBITYPWICMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O.C25H28N4OS.C25H31N3O4.C24H32N6O2/c1-32(2)26(19-6-4-3-5-7-19)12-10-25(11-13-26)17-33(24(34)31-25)20-15-29-23(30-16-20)18-8-9-21(27)22(28)14-18;1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19;1-27(2)25(19-9-5-4-6-10-19)15-13-24(14-16-25)18-28(23(30)26-24)20-11-7-8-12-21(20)32-17-22(29)31-3;1-28(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)18-30(22(31)27-23)20-8-13-25-21(26-20)29-14-16-32-17-15-29/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,34);3-11,16-17H,12-15,18H2,1-2H3,(H,27,30);4-12H,13-18H2,1-3H3,(H,26,30);3-8,13H,9-12,14-18H2,1-2H3,(H,27,31).
What are the key properties of 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate?
3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate has a molecular weight of 1770.22 g/mol, XLogP of 15.98, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one;methyl 2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetate is sourced from PubChem (CID 159473292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).