7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C105H109F3N26O9 — CID 159349889

About 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159349889) has the molecular formula C105H109F3N26O9 and a molecular weight of 1936.19 g/mol. Its IUPAC name is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 159349889
• Molecular Formula: C105H109F3N26O9
• Molecular Weight: 1936.19 g/mol
• Exact Mass: 1934.88
• IUPAC Name: 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CNC[C@H]5C4)ccc3n2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1C.O=c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)nc2ccc(N3CCNCC3)cn12
• InChI: InChI=1S/C22H24N4O3.2C21H22N6O.C21H24N4O3.C20H17F3N6O/c1-28-19-5-3-14(7-20(19)29-2)18-8-22(27)26-13-17(4-6-21(26)24-18)25-11-15-9-23-10-16(15)12-25;1-14-15(2)26-12-16(3-5-19(26)23-14)18-11-21(28)27-13-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-27-18-5-3-14(11-19(18)28-2)17-12-21(26)25-13-16(4-6-20(25)23-17)24-9-7-15(22)8-10-24;21-20(22,23)16-12-28-10-13(1-3-17(28)26-16)15-9-19(30)29-11-14(2-4-18(29)25-15)27-7-5-24-6-8-27/h3-8,13,15-16,23H,9-12H2,1-2H3;3-6,11-13,22H,7-10H2,1-2H3;3-6,11-14,22H,2,7-10H2,1H3;3-6,11-13,15H,7-10,22H2,1-2H3;1-4,9-12,24H,5-8H2/t15-,16+
• InChIKey: LHERTJMESLPUMS-INHBEYBGSA-N
• XLogP: 10.79
• TPSA: 351.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.19
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 159349889) is 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is CCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CNC[C@H]5C4)ccc3n2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1C.O=c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)nc2ccc(N3CCNCC3)cn12.

What is the InChIKey of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is LHERTJMESLPUMS-INHBEYBGSA-N. The full InChI is InChI=1S/C22H24N4O3.2C21H22N6O.C21H24N4O3.C20H17F3N6O/c1-28-19-5-3-14(7-20(19)29-2)18-8-22(27)26-13-17(4-6-21(26)24-18)25-11-15-9-23-10-16(15)12-25;1-14-15(2)26-12-16(3-5-19(26)23-14)18-11-21(28)27-13-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-27-18-5-3-14(11-19(18)28-2)17-12-21(26)25-13-16(4-6-20(25)23-17)24-9-7-15(22)8-10-24;21-20(22,23)16-12-28-10-13(1-3-17(28)26-16)15-9-19(30)29-11-14(2-4-18(29)25-15)27-7-5-24-6-8-27/h3-8,13,15-16,23H,9-12H2,1-2H3;3-6,11-13,22H,7-10H2,1-2H3;3-6,11-14,22H,2,7-10H2,1H3;3-6,11-13,15H,7-10,22H2,1-2H3;1-4,9-12,24H,5-8H2/t15-,16+;;;;.

What are the key properties of 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1936.19 g/mol, XLogP of 10.79, 15 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159349889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).