8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile

C103H121F3N24O7S — CID 160796925

About 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile

8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile (PubChem CID 160796925) has the molecular formula C103H121F3N24O7S and a molecular weight of 1896.32 g/mol. Its IUPAC name is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile
• PubChem CID: 160796925
• Molecular Formula: C103H121F3N24O7S
• Molecular Weight: 1896.32 g/mol
• Exact Mass: 1894.95
• IUPAC Name: 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
• InChI: InChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.C24H28F3N5O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)30-13-15-31(16-14-30)36(3,34)35;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33)
• InChIKey: SCOHHSYJGOJDLP-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 352.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1896.32
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile?

The IUPAC name of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile (CID 160796925) is 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile.

What is the SMILES notation for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile?

The canonical SMILES for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C#N)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc(C(N)=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(S(C)(=O)=O)CC3)nc1)C(=O)N2.CN(CC1CC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.

What is the InChIKey of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile?

The InChIKey is SCOHHSYJGOJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C27H28N6O.C25H35N7O3S.C24H28F3N5O/c1-32(2)27(21-9-4-3-5-10-21)13-11-26(12-14-27)18-33(25(35)31-26)22-16-29-24(30-17-22)20-8-6-7-19(15-20)23(28)34;1-32(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-33(25(34)31-26)23-17-29-24(30-18-23)21-8-6-7-20(15-21)16-28;1-29(2)25(20-7-5-4-6-8-20)11-9-24(10-12-25)19-32(23(33)28-24)21-17-26-22(27-18-21)30-13-15-31(16-14-30)36(3,34)35;1-31(15-17-7-8-17)23(18-5-3-2-4-6-18)11-9-22(10-12-23)16-32(21(33)30-22)19-13-28-20(29-14-19)24(25,26)27/h3-10,15-17H,11-14,18H2,1-2H3,(H2,28,34)(H,31,35);3-10,15,17-18H,11-14,19H2,1-2H3,(H,31,34);4-8,17-18H,9-16,19H2,1-3H3,(H,28,33);2-6,13-14,17H,7-12,15-16H2,1H3,(H,30,33).

What are the key properties of 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile?

8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile has a molecular weight of 1896.32 g/mol, XLogP of 14.29, 19 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 160796925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).