7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C108H109F4N31O6 — CID 159092892

About 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159092892) has the molecular formula C108H109F4N31O6 and a molecular weight of 2013.26 g/mol. Its IUPAC name is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 159092892
• Molecular Formula: C108H109F4N31O6
• Molecular Weight: 2013.26 g/mol
• Exact Mass: 2011.91
• IUPAC Name: 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CN1CCN(c2ccc3nc(-c4ccc5nccn5c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC6(CC5)CNC6)ccc4n3)cc2c(C)n1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc2o1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1
• InChI: InChI=1S/C23H22FN5O2.C23H25N7O.C22H21F3N6O.C20H21N7O.C20H20N6O/c1-14-25-23-18(24)9-15(10-20(23)31-14)19-11-22(30)29-13-17(4-5-21(29)26-19)28-8-7-27-6-2-3-16(27)12-28;1-15-11-30-20(16(2)25-15)9-19(27-30)18-10-22(31)29-12-17(3-4-21(29)26-18)28-7-5-23(6-8-28)13-24-14-23;1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25;1-23-8-10-24(11-9-23)16-3-5-19-22-17(12-20(27)26(19)14-16)15-2-4-18-21-6-7-25(18)13-15/h4-5,9-11,13,16H,2-3,6-8,12H2,1H3;3-4,9-12,24H,5-8,13-14H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;2-7,12-14H,8-11H2,1H3/t16-;;;;/m0..../s1
• InChIKey: KCHIYHHBOMLQBL-FXAGWRDUSA-N
• XLogP: 11.76
• TPSA: 334.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.26
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 159092892) is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2ccc3nc(-c4ccc5nccn5c4)cc(=O)n3c2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC6(CC5)CNC6)ccc4n3)cc2c(C)n1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc2o1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1.

What is the InChIKey of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is KCHIYHHBOMLQBL-FXAGWRDUSA-N. The full InChI is InChI=1S/C23H22FN5O2.C23H25N7O.C22H21F3N6O.C20H21N7O.C20H20N6O/c1-14-25-23-18(24)9-15(10-20(23)31-14)19-11-22(30)29-13-17(4-5-21(29)26-19)28-8-7-27-6-2-3-16(27)12-28;1-15-11-30-20(16(2)25-15)9-19(27-30)18-10-22(31)29-12-17(3-4-21(29)26-18)28-7-5-23(6-8-28)13-24-14-23;1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25;1-23-8-10-24(11-9-23)16-3-5-19-22-17(12-20(27)26(19)14-16)15-2-4-18-21-6-7-25(18)13-15/h4-5,9-11,13,16H,2-3,6-8,12H2,1H3;3-4,9-12,24H,5-8,13-14H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;2-7,12-14H,8-11H2,1H3/t16-;;;;/m0..../s1.

What are the key properties of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2013.26 g/mol, XLogP of 11.76, 10 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-imidazo[1,2-a]pyridin-6-yl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159092892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).