8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid

C99H120F6N22O6S — CID 160618198

About 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid

8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid (PubChem CID 160618198) has the molecular formula C99H120F6N22O6S and a molecular weight of 1860.25 g/mol. Its IUPAC name is 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid
• PubChem CID: 160618198
• Molecular Formula: C99H120F6N22O6S
• Molecular Weight: 1860.25 g/mol
• Exact Mass: 1858.94
• IUPAC Name: 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnc4c3ccn4C)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(CC(=O)O)CC3)nc1)C(=O)N2.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(Cc3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O
• InChI: InChI=1S/C28H31N7O.C26H35N7O3.C24H29F3N4O.C21H25F3N4OS/c1-33(2)28(20-7-5-4-6-8-20)13-11-27(12-14-28)19-35(26(36)32-27)21-17-30-24(31-18-21)22-9-15-29-25-23(22)10-16-34(25)3;1-30(2)26(20-6-4-3-5-7-20)10-8-25(9-11-26)19-33(24(36)29-25)21-16-27-23(28-17-21)32-14-12-31(13-15-32)18-22(34)35;1-17-13-20(24(25,26)27)28-15-19(17)31-16-22(29-21(31)32)9-11-23(12-10-22,30(2)3)14-18-7-5-4-6-8-18;1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-10,15-18H,11-14,19H2,1-3H3,(H,32,36);3-7,16-17H,8-15,18-19H2,1-2H3,(H,29,36)(H,34,35);4-8,13,15H,9-12,14,16H2,1-3H3,(H,29,32);4-5,10-12H,6-9,13H2,1-3H3,(H,26,29)
• InChIKey: RGJCFSRFQFIXON-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 281.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.25
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid?

The IUPAC name of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid (CID 160618198) is 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid.

What is the SMILES notation for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid?

The canonical SMILES for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnc4c3ccn4C)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCN(CC(=O)O)CC3)nc1)C(=O)N2.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(Cc3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.

What is the InChIKey of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid?

The InChIKey is RGJCFSRFQFIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O.C26H35N7O3.C24H29F3N4O.C21H25F3N4OS/c1-33(2)28(20-7-5-4-6-8-20)13-11-27(12-14-28)19-35(26(36)32-27)21-17-30-24(31-18-21)22-9-15-29-25-23(22)10-16-34(25)3;1-30(2)26(20-6-4-3-5-7-20)10-8-25(9-11-26)19-33(24(36)29-25)21-16-27-23(28-17-21)32-14-12-31(13-15-32)18-22(34)35;1-17-13-20(24(25,26)27)28-15-19(17)31-16-22(29-21(31)32)9-11-23(12-10-22,30(2)3)14-18-7-5-4-6-8-18;1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-10,15-18H,11-14,19H2,1-3H3,(H,32,36);3-7,16-17H,8-15,18-19H2,1-2H3,(H,29,36)(H,34,35);4-8,13,15H,9-12,14,16H2,1-3H3,(H,29,32);4-5,10-12H,6-9,13H2,1-3H3,(H,26,29).

What are the key properties of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid?

8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid has a molecular weight of 1860.25 g/mol, XLogP of 15.88, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 160618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).