8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate

C190H243FN44O19S2 — CID 159237712

IUPAC8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(=O)N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.COC(=O)CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H37N7O3.C25H32N6O3.C25H34N6O2.C24H32N6O3S.C24H31N3O3S.2C22H26N6O2.C21H25FN4O/c1-31(2)27(21-7-5-4-6-8-21)11-9-26(10-12-27)20-34(25(36)30-26)22-17-28-24(29-18-22)33-15-13-32(14-16-33)19-23(35)37-3;1-29(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-31(23(33)28-24)20-16-26-21(27-17-20)22(32)30-12-14-34-15-13-30;1-19-21(17-26-22(27-19)30-13-15-33-16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30;2*1-3-25-22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-28(20(29)27-21)17-14-24-18(13-23)26-19(17)30-2;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22/h4-8,17-18H,9-16,19-20H2,1-3H3,(H,30,36);3-7,16-17H,8-15,18H2,1-2H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-12H,13-18H2,1-3H3,(H,25,28);2*4-8,14,25H,3,9-12,15H2,1-2H3,(H,27,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyKTRQYKXZFKTAAP-UHFFFAOYSA-N
MW3530.45 g/mol
LogP21.71
Rot. Bonds36

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (PubChem CID 159237712) has the molecular formula C190H243FN44O19S2 and a molecular weight of 3530.45 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
PubChem CID159237712
Molecular FormulaC190H243FN44O19S2
Molecular Weight3530.45 g/mol
Exact Mass3527.88
IUPAC Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(=O)N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.COC(=O)CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H37N7O3.C25H32N6O3.C25H34N6O2.C24H32N6O3S.C24H31N3O3S.2C22H26N6O2.C21H25FN4O/c1-31(2)27(21-7-5-4-6-8-21)11-9-26(10-12-27)20-34(25(36)30-26)22-17-28-24(29-18-22)33-15-13-32(14-16-33)19-23(35)37-3;1-29(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-31(23(33)28-24)20-16-26-21(27-17-20)22(32)30-12-14-34-15-13-30;1-19-21(17-26-22(27-19)30-13-15-33-16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30;2*1-3-25-22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-28(20(29)27-21)17-14-24-18(13-23)26-19(17)30-2;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22/h4-8,17-18H,9-16,19-20H2,1-3H3,(H,30,36);3-7,16-17H,8-15,18H2,1-2H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-12H,13-18H2,1-3H3,(H,25,28);2*4-8,14,25H,3,9-12,15H2,1-2H3,(H,27,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyKTRQYKXZFKTAAP-UHFFFAOYSA-N
XLogP21.71
TPSA682.14 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003530.45
LogP ≤ 521.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (CID 159237712) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(=O)N3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.COC(=O)CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
The InChIKey is KTRQYKXZFKTAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O3.C25H32N6O3.C25H34N6O2.C24H32N6O3S.C24H31N3O3S.2C22H26N6O2.C21H25FN4O/c1-31(2)27(21-7-5-4-6-8-21)11-9-26(10-12-27)20-34(25(36)30-26)22-17-28-24(29-18-22)33-15-13-32(14-16-33)19-23(35)37-3;1-29(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-31(23(33)28-24)20-16-26-21(27-17-20)22(32)30-12-14-34-15-13-30;1-19-21(17-26-22(27-19)30-13-15-33-16-14-30)31-18-24(28-23(31)32)9-11-25(12-10-24,29(2)3)20-7-5-4-6-8-20;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30;2*1-3-25-22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-28(20(29)27-21)17-14-24-18(13-23)26-19(17)30-2;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22/h4-8,17-18H,9-16,19-20H2,1-3H3,(H,30,36);3-7,16-17H,8-15,18H2,1-2H3,(H,28,33);4-8,17H,9-16,18H2,1-3H3,(H,28,32);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-12H,13-18H2,1-3H3,(H,25,28);2*4-8,14,25H,3,9-12,15H2,1-2H3,(H,27,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate has a molecular weight of 3530.45 g/mol, XLogP of 21.71, 36 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 159237712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).